Changeset 2925
- Timestamp:
- 09/06/10 16:52:23 (17 months ago)
- Location:
- trunk/nlib/data
- Files:
-
- 60 modified
-
Ag.laz (modified) (1 diff)
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Al.lau (modified) (1 diff)
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Al.laz (modified) (1 diff)
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Al2O3_sapphire.laz (modified) (1 diff)
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Au.laz (modified) (1 diff)
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B4C.lau (modified) (1 diff)
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Ba.laz (modified) (1 diff)
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Be.laz (modified) (1 diff)
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BeO.lau (modified) (1 diff)
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BeO.laz (modified) (1 diff)
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Bi.laz (modified) (3 diffs)
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C_diamond.lau (modified) (1 diff)
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C_diamond.laz (modified) (1 diff)
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C_graphite.lau (modified) (1 diff)
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C_graphite.laz (modified) (1 diff)
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Cd.laz (modified) (1 diff)
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Cr.laz (modified) (1 diff)
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Cs.laz (modified) (1 diff)
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Cs_liq_tot.sqw (modified) (1 diff)
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Cu.laz (modified) (1 diff)
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Fe.laz (modified) (2 diffs)
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Fe_Gamma.laz (modified) (2 diffs)
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Ga.laz (modified) (2 diffs)
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Gd.laz (modified) (1 diff)
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Ge.lau (modified) (2 diffs)
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Ge.laz (modified) (2 diffs)
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H2O_ice_1h.laz (modified) (2 diffs)
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He4_liq_coh.sqw (modified) (1 diff)
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Hg.laz (modified) (1 diff)
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I2.laz (modified) (1 diff)
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In.lau (modified) (1 diff)
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K.laz (modified) (1 diff)
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Li.laz (modified) (1 diff)
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LiF.laz (modified) (1 diff)
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Na2Ca3Al2F14.laz (modified) (1 diff)
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Nb.laz (modified) (1 diff)
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Ni.laz (modified) (1 diff)
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Pb.laz (modified) (1 diff)
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Pd.laz (modified) (1 diff)
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Pt.laz (modified) (1 diff)
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Rb.laz (modified) (1 diff)
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Se_alpha.laz (modified) (1 diff)
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Se_beta.laz (modified) (1 diff)
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Si.laz (modified) (1 diff)
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SiO2_quartza.lau (modified) (1 diff)
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SiO2_quartza.laz (modified) (1 diff)
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SiO2_quartzb.lau (modified) (1 diff)
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SiO2_quartzb.laz (modified) (1 diff)
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Sn_alpha.laz (modified) (1 diff)
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Sn_beta.laz (modified) (1 diff)
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Ti.laz (modified) (1 diff)
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Tl.laz (modified) (2 diffs)
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V.laz (modified) (1 diff)
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Y2O3.laz (modified) (1 diff)
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Y3Fe5O12_YIG.laz (modified) (1 diff)
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Zn.laz (modified) (1 diff)
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Zr.laz (modified) (1 diff)
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adrenaline.lau (modified) (1 diff)
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aspirin.lau (modified) (1 diff)
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leucine.lau (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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trunk/nlib/data/Ag.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 4.407 coherent scattering cross section in [barn]10 # sigma_inc 0.58 incoherent scattering cross section in [barn]11 # sigma_abs 63.3 absorption scattering cross section in [barn]9 # sigma_coh 4.407 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.58 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 63.3 absorption scattering cross section (single atom) in [barn] 12 12 # density 10.5 in [g/cm^3] 13 # weight 107.87 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 107.87 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 68.22 volume of unit cell in [A^3] 15 16 # v_sound 2600 in [m/s] 16 17 # v_sound_l 3650 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Al.lau
r2012 r2925 1 # Aluminum-Al-[FM3-M] 1 # TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K 2 # CELL 4.049320 4.049320 4.049320 90.000000 90.000000 90.000000 3 # SPCGRP F M 3 M CUBIC STRUCTURE 4 # ATOM AL 1 0.000000 0.000000 0.000000 5 # SCATTERING FACTOR COEFFICIENTS: AL F= 0.345 CM-12 6 # Reference: Physical Review (1940) 57, 198-206 2 7 # 3 8 # Physical parameters: 4 # sigma_coh 1.495 coherent scattering cross section in [barn]5 # sigma_inc 0.0082 incoherent scattering cross section in [barn]6 # sigma_abs 0.231 absorption scattering cross section in [barn]9 # sigma_coh 1.495 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.0082 incoherent scattering cross section (single atom)in [barn] 11 # sigma_abs 0.231 absorption scattering cross section (single atom) in [barn] 7 12 # density 2.70 in [g/cm^3] 8 # weight 26.98 in [g/mol] 9 # nb_atoms 4 in [atoms/unit cell] 13 # weight 26.98 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 66.4 volume of unit cell in [A^3] 10 16 # v_sound 5100 in [m/s] 11 17 # v_sound_l 6420 velocity of longitudinal sound in [m/s] 12 18 # v_sound_t 3040 velocity of transversal sound in [m/s] 13 19 # T_m 933.5 melting temperature in [K] 14 # T_b 2792.2 boiling 20 # T_b 2792.2 boiling temperature in [K] 15 21 # At_number 13 atomic number Z 16 22 # lattice_a 4.04932 lattice parameter a in [Angs] -
trunk/nlib/data/Al.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 1.495 coherent scattering cross section in [barn]10 # sigma_inc 0.0082 incoherent scattering cross section in [barn]11 # sigma_abs 0.231 absorption scattering cross section in [barn]9 # sigma_coh 1.495 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.0082 incoherent scattering cross section (single atom)in [barn] 11 # sigma_abs 0.231 absorption scattering cross section (single atom) in [barn] 12 12 # density 2.70 in [g/cm^3] 13 # weight 26.98 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 26.98 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 66.4 volume of unit cell in [A^3] 15 16 # v_sound 5100 in [m/s] 16 17 # v_sound_l 6420 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Al2O3_sapphire.laz
r1473 r2925 3 3 # SPCGRP R -3 C TRIGONAL STRUCTURE 4 4 # ATOM AL 1 0.000000 0.000000 0.352110 5 # ATOM O 1 0.306260 0.306260 0.2500005 # ATOM O 1 0.306260 0.306260 0.250000 6 6 # SCATTERING FACTOR COEFFICIENTS: AL F= 0.345 CM-12 ; O F= 0.581 CM-12 7 7 # Reference: Acta Crystallographica B (1998) 54, 193-195 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 15.683 coherent scattering cross section in [barn]11 # sigma_inc 0.0188 incoherent scattering cross section in [barn]12 # sigma_abs 0.4625 absorption scattering cross section in [barn]10 # sigma_coh 15.683 coherent scattering cross section for Al2O3 in [barn] 11 # sigma_inc 0.0188 incoherent scattering cross section for Al2O3 in [barn] 12 # sigma_abs 0.4625 absorption scattering cross section for Al2O3 in [barn] 13 13 # density 4.05 in [g/cm^3] 14 # weight 101.96 in [g/mol] 15 # nb_atoms 30 in [atoms/unit cell] 14 # weight 101.96 in [g/mol] for Al2O3 15 # multiplicity 6 in [Al2O3/unit cell] 16 # Vc 254.52 volume of unit cell in [A^3] 16 17 # T_m 2273 melting temperature in [K] 17 18 # T_b 3773 boiling temperature in [K] -
trunk/nlib/data/Au.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 7.32 coherent scattering cross section in [barn]10 # sigma_inc 0.43 incoherent scattering cross section in [barn]11 # sigma_abs 98.65 absorption scattering cross section in [barn]9 # sigma_coh 7.32 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.43 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 98.65 absorption scattering cross section (single atom) in [barn] 12 12 # density 19.3 in [g/cm^3] 13 # weight 196.97 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 196.97 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 67.86 volume of unit cell in [A^3] 15 16 # v_sound 1740 in [m/s] 16 17 # v_sound_l 3240 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/B4C.lau
r2424 r2925 10 10 # 11 11 # Physical parameters: 12 # sigma_coh 19.71 coherent scattering cross section in [barn]13 # sigma_inc 6.801 incoherent scattering cross section in [barn]14 # sigma_abs 3068 absorption scattering cross section in [barn]12 # sigma_coh 19.71 coherent scattering cross section for B4C in [barn] 13 # sigma_inc 6.801 incoherent scattering cross section for B4C in [barn] 14 # sigma_abs 3068 absorption scattering cross section for B4C in [barn] 15 15 # density 2.52 in [g/cm^3] 16 # weight 55.25 in [g/mol] 17 # nb_atoms 45 in [atoms/unit cell]16 # weight 55.25 in [g/mol] for B4C 17 # multiplicity 9 in [B4C/unit cell] 18 18 # Vc 328.9 volume of unit cell in [A^3] 19 19 # T_m 2718 melting temperature in [K] -
trunk/nlib/data/Ba.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 3.23 coherent scattering cross section in [barn]10 # sigma_inc 0.15 incoherent scattering cross section in [barn]11 # sigma_abs 29.0 absorption scattering cross section in [barn]9 # sigma_coh 3.23 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.15 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 29.0 absorption scattering cross section (single atom) in [barn] 12 12 # density 3.62 in [g/cm^3] 13 # weight 137.3 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 137.3 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 125.75 volume of unit cell in [A^3] 15 16 # v_sound 1620 in [m/s] 16 17 # T_m 1000 melting temperature in [K] -
trunk/nlib/data/Be.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 7.63 coherent scattering cross section in [barn]10 # sigma_inc 0.0018 incoherent scattering cross section in [barn]11 # sigma_abs 0.0076 absorption scattering cross section in [barn]9 # sigma_coh 7.63 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.0018 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.0076 absorption scattering cross section (single atom) in [barn] 12 12 # density 1.848 in [g/cm^3] 13 # weight 9.01 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 9.01 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 16.22 volume of unit cell in [A^3] 15 16 # v_sound 13000 in [m/s] 16 17 # v_sound_l 12890 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/BeO.lau
r2012 r2925 1 # BeO crystal, used for Berylium filters 2 # a=b=2.714, c=4.405; aa=bb=90, cc=120; 1 # TITLE *Bromellite-BeO-[P63MC] Xu, Y.-N.;Ching, W.Y.[1993] [Bromellite, extremelly stable, very toxic] 2 # CELL 2.698000 2.698000 4.380000 90.000000 90.000000 120.000000 3 # SPCGRP P 63 M C HEXAGONAL STRUCTURE 4 # ATOM BE 1 -0.333300 -0.666700 0.000000 5 # ATOM O 1 -0.333300 -0.666700 0.378000 6 # SCATTERING FACTOR COEFFICIENTS: BE F= 0.779 CM-12; O F= 0.581 CM-12 7 # Reference: Physical Review, Serie 3. B - Condensed Matter (1993) 48, 4335-4351 3 8 # 4 9 # Physical parameters: 5 # sigma_coh 11.85 coherent scattering cross section in [barn]6 # sigma_inc 0.003 incoherent scattering cross section in [barn]7 # sigma_abs 0.008 absorption scattering cross section in [barn]10 # sigma_coh 11.85 coherent scattering cross section for BeO in [barn] 11 # sigma_inc 0.003 incoherent scattering cross section for BeO in [barn] 12 # sigma_abs 0.008 absorption scattering cross section for BeO in [barn] 8 13 # density 3.01 in [g/cm^3] 9 # weight 25.01 in [g/mol] 10 # nb_atoms 4 in [atoms/unit cell] 14 # weight 25.01 in [g/mol] for BeO 15 # multiplicity 2 in [BeO/unit cell] 16 # Vc 27.61 volume of unit cell in [A^3] 11 17 # T_m 2650 melting temperature in [K] 12 18 # T_b 3243 boiling temperature in [K] -
trunk/nlib/data/BeO.laz
r2012 r2925 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 11.85 coherent scattering cross section in [barn]11 # sigma_inc 0.003 incoherent scattering cross section in [barn]12 # sigma_abs 0.008 absorption scattering cross section in [barn]10 # sigma_coh 11.85 coherent scattering cross section for BeO in [barn] 11 # sigma_inc 0.003 incoherent scattering cross section for BeO in [barn] 12 # sigma_abs 0.008 absorption scattering cross section for BeO in [barn] 13 13 # density 3.01 in [g/cm^3] 14 # weight 25.01 in [g/mol] 15 # nb_atoms 4 in [atoms/unit cell] 14 # weight 25.01 in [g/mol] for BeO 15 # multiplicity 2 in [BeO/unit cell] 16 # Vc 27.61 volume of unit cell in [A^3] 16 17 # T_m 2650 melting temperature in [K] 17 18 # T_b 3243 boiling temperature in [K] -
trunk/nlib/data/Bi.laz
r2012 r2925 1 1 # TITLE *Bismuth-Bi-[R3-MH] Cucka, P.;Barrett, C.S.[1960] at 298 K 2 2 # CELL 4.546000 4.546000 11.862000 90.000000 90.000000 120.000000 3 # SPCGRP R -3 M RHOMBOHEDRAL BRAVAIS LATTICE3 # SPCGRP R -3 M TRIGONAL STRUCTURE RHOMBOHEDRAL BRAVAIS LATTICE 4 4 # ATOM BI 1 0.000000 0.000000 0.233890 1.114000 5 5 # SCATTERING FACTOR COEFFICIENTS: BI F= 0.853 CM-12 … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 9.148 coherent scattering cross section in [barn]10 # sigma_inc 0.0084 incoherent scattering cross section in [barn]11 # sigma_abs 0.0338 absorption scattering cross section in [barn]9 # sigma_coh 9.148 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.0084 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.0338 absorption scattering cross section (single atom) in [barn] 12 12 # density 9.79 in [g/cm^3] 13 # weight 208.98 in [g/mol] 14 # nb_atoms 6 in [atoms/unit cell] 13 # weight 208.98 in [g/mol] (single atom) 14 # multiplicity 6 in [atoms/unit cell] 15 # Vc 209.93 volume of unit cell in [A^3] 15 16 # v_sound 1790 in [m/s] 16 17 # T_m 544.5 melting temperature in [K] … … 18 19 # At_number 83 atomic number Z 19 20 # lattice_a 4.546 lattice parameter a in [Angs] 20 # lattice_c 1 .862lattice parameter c in [Angs]21 # lattice_c 11.862 lattice parameter c in [Angs] 21 22 # lattice_cc 120 lattice angle gamma in [deg] 22 23 # -
trunk/nlib/data/C_diamond.lau
r2012 r2925 1 # Diamond (C): cubic, diamond 2 # a=b=c=3.567; 90 degs; 1 # TITLE *Diamond-C-[FD3-MS] Fayos, J.[1999] 2 # CELL 3.567000 3.567000 3.567000 90.000000 90.000000 90.000000 3 # SPCGRP F D 3 M CUBIC STRUCTURE 4 # ATOM C 1 0.000000 0.000000 0.000000 5 # SCATTERING FACTOR COEFFICIENTS: C F= 0.665 CM-12 6 # Reference: Journal of Solid State Chemistry (1999) 148, 278-285 3 7 # 4 8 # Physical parameters: 5 # sigma_coh 5.551 coherent scattering cross section in [barn]6 # sigma_inc 0.001 incoherent scattering cross section in [barn]7 # sigma_abs 0.0035 absorption scattering cross section in [barn]9 # sigma_coh 5.551 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.001 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.0035 absorption scattering cross section (single atom) in [barn] 8 12 # density 3.51 in [g/cm^3] 9 # weight 12.01 in [g/mol] 10 # nb_atoms 16 in [atoms/unit cell] 13 # weight 12.01 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 45.39 volume of unit cell in [A^3] 11 16 # v_sound 18350 in [m/s] 12 17 # T_m 4400 melting temperature in [K] -
trunk/nlib/data/C_diamond.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 5.551 coherent scattering cross section in [barn]10 # sigma_inc 0.001 incoherent scattering cross section in [barn]11 # sigma_abs 0.0035 absorption scattering cross section in [barn]9 # sigma_coh 5.551 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.001 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.0035 absorption scattering cross section (single atom) in [barn] 12 12 # density 3.51 in [g/cm^3] 13 # weight 12.01 in [g/mol] 14 # nb_atoms 16 in [atoms/unit cell] 13 # weight 12.01 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 45.39 volume of unit cell in [A^3] 15 16 # v_sound 18350 in [m/s] 16 17 # T_m 4400 melting temperature in [K] -
trunk/nlib/data/C_graphite.lau
r2012 r2925 1 # Graphite (C): 'P 63 m c' (186) hexagonal 2 # a=b=2.47, c=6.79; aa=bb=90, c=120; 1 # TITLE *Graphite 2H-C-[P63/MMC] Trucano, P.;Chen, R.[1975] [graphite 2H] 2 # CELL 2.464000 2.464000 6.711000 90.000000 90.000000 120.000000 3 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE 4 # ATOM C 1 0.000000 0.000000 0.250000 5 # ATOM C 2 0.333300 0.666700 0.250000 6 # SCATTERING FACTOR COEFFICIENTS: C F= 0.665 CM-12 7 # Reference: Nature (1975) 258, 136-137 3 8 # 4 9 # Physical parameters: 5 # sigma_coh 5.551 coherent scattering cross section in [barn]6 # sigma_inc 0.001 incoherent scattering cross section in [barn]7 # sigma_abs 0.0035 absorption scattering cross section in [barn]10 # sigma_coh 5.551 coherent scattering cross section (single atom) in [barn] 11 # sigma_inc 0.001 incoherent scattering cross section (single atom) in [barn] 12 # sigma_abs 0.0035 absorption scattering cross section (single atom) in [barn] 8 13 # density 2.267 in [g/cm^3] 9 # weight 12.01 in [g/mol] 10 # nb_atoms 4 in [atoms/unit cell] 14 # weight 12.01 in [g/mol] (single atom) 15 # multiplicity 4 in [atoms/unit cell] 16 # Vc 35.29 volume of unit cell in [A^3] 11 17 # v_sound 18350 in [m/s] 12 18 # T_m 3800 melting temperature in [K] -
trunk/nlib/data/C_graphite.laz
r2012 r2925 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 5.551 coherent scattering cross section in [barn]11 # sigma_inc 0.001 incoherent scattering cross section in [barn]12 # sigma_abs 0.0035 absorption scattering cross section in [barn]10 # sigma_coh 5.551 coherent scattering cross section (single atom) in [barn] 11 # sigma_inc 0.001 incoherent scattering cross section (single atom) in [barn] 12 # sigma_abs 0.0035 absorption scattering cross section (single atom) in [barn] 13 13 # density 2.267 in [g/cm^3] 14 # weight 12.01 in [g/mol] 15 # nb_atoms 4 in [atoms/unit cell] 14 # weight 12.01 in [g/mol] (single atom) 15 # multiplicity 4 in [atoms/unit cell] 16 # Vc 35.29 volume of unit cell in [A^3] 16 17 # v_sound 18350 in [m/s] 17 18 # T_m 3800 melting temperature in [K] -
trunk/nlib/data/Cd.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 3.04 coherent scattering cross section in [barn]10 # sigma_inc 3.46 incoherent scattering cross section in [barn]11 # sigma_abs 2520 absorption scattering cross section in [barn]9 # sigma_coh 3.04 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 3.46 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2520 absorption scattering cross section (single atom) in [barn] 12 12 # density 8.65 in [g/cm^3] 13 # weight 112.4 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 112.4 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 43.11 volume of unit cell in [A^3] 15 16 # v_sound 2310 in [m/s] 16 17 # T_m 594.2 melting temperature in [K] -
trunk/nlib/data/Cr.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 1.660 coherent scattering cross section in [barn]10 # sigma_inc 1.83 incoherent scattering cross section in [barn]11 # sigma_abs 3.05 absorption scattering cross section in [barn]9 # sigma_coh 1.660 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 1.83 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 3.05 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.15 in [g/cm^3] 13 # weight 51.99 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 51.99 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 24.01 volume of unit cell in [A^3] 15 16 # v_sound 5940 in [m/s] 16 17 # T_m 2180 melting temperature in [K] -
trunk/nlib/data/Cs.laz
r2438 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 3.69 coherent scattering cross section in [barn]10 # sigma_inc 0.21 incoherent scattering cross section in [barn]11 # sigma_abs 29.0 absorption scattering cross section in [barn]9 # sigma_coh 3.69 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.21 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 29.0 absorption scattering cross section (single atom) in [barn] 12 12 # density 1.93 in [g/cm^3] 13 # weight 132.90 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 132.90 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 223.32 volume of unit cell in [A^3] 15 16 # v_sound 1090 in [m/s] in liquid 16 17 # T_m 301.6 melting temperature in [K] -
trunk/nlib/data/Cs_liq_tot.sqw
r2799 r2925 14 14 # density 1.843 in [g/cm^3] 15 15 # weight 132.90 in [g/mol] 16 # nb_atoms 1 in [atoms/unit cell]17 16 # v_sound 1090 in [m/s] in liquid 18 17 # T_m 301.6 melting temperature in [K] -
trunk/nlib/data/Cu.laz
r2438 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 7.485 coherent scattering cross section in [barn]10 # sigma_inc 0.55 incoherent scattering cross section in [barn]11 # sigma_abs 3.78 absorption scattering cross section in [barn]9 # sigma_coh 7.485 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.55 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 3.78 absorption scattering cross section (single atom) in [barn] 12 12 # density 8.92 in [g/cm^3] 13 # weight 63.55 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 63.55 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 47.24 volume of unit cell in [A^3] 15 16 # v_sound 3570 in [m/s] 16 17 # v_sound_l 4760 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Fe.laz
r2012 r2925 1 # TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [ alpha phase]1 # TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [Iron alpha phase] 2 2 # CELL 2.886000 2.886000 2.886000 90.000000 90.000000 90.000000 3 3 # SPCGRP I M 3 M CUBIC STRUCTURE … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 11.22 coherent scattering cross section in [barn]10 # sigma_inc 0.4 incoherent scattering cross section in [barn]11 # sigma_abs 2.56 absorption scattering cross section in [barn]9 # sigma_coh 11.22 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.4 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.56 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.87 in [g/cm^3] 13 # weight 55.84 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 55.84 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 24.04 volume of unit cell in [A^3] 15 16 # v_sound 4910 in [m/s] 16 17 # v_sound_l 4994 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Fe_Gamma.laz
r2920 r2925 1 # TITLE *-Fe-[FM3-M] Basinski, Z.S.;Hume-Rothery, W.;Sutton, A.L.[1955] [ gamma phase]1 # TITLE *-Fe-[FM3-M] Basinski, Z.S.;Hume-Rothery, W.;Sutton, A.L.[1955] [Iron gamma phase] 2 2 # CELL 3.646800 3.646800 3.646800 90.000000 90.000000 90.000000 3 # SPCGRP F M 3 M 3 # SPCGRP F M 3 M CUBIC STRUCTURE 4 4 # ATOM FE 1 0.000000 0.000000 0.000000 5 5 # SCATTERING FACTOR COEFFICIENTS: FE F= 0.945 CM-12 … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 11.22 coherent scattering cross section in [barn]10 # sigma_inc 0.4 incoherent scattering cross section in [barn]11 # sigma_abs 2.56 absorption scattering cross section in [barn]9 # sigma_coh 11.22 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.4 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.56 absorption scattering cross section (single atom) in [barn] 12 12 # density 8.00 in [g/cm^3] 13 # weight 55.84 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 55.84 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 49.02 volume of unit cell in [A^3] 15 16 # At_number 26 atomic number Z 16 17 # lattice_a 3.6468 lattice parameter a in [Angs] -
trunk/nlib/data/Ga.laz
r2012 r2925 1 # TITLE *-Ga-[CMCA] Sharma, B.D.;Donohue, J.[19 32]1 # TITLE *-Ga-[CMCA] Sharma, B.D.;Donohue, J.[1962] 2 2 # CELL 4.523000 7.661000 4.524000 90.000000 90.000000 90.000000 3 3 # SPCGRP C M C A ORTHORHOMBIC STRUCTURE … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 6.675 coherent scattering cross section in [barn]10 # sigma_inc 0.16 incoherent scattering cross section in [barn]11 # sigma_abs 2.75 absorption scattering cross section in [barn]9 # sigma_coh 6.675 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.16 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.75 absorption scattering cross section (single atom) in [barn] 12 12 # density 5.90 in [g/cm^3] 13 # weight 69.72 in [g/mol] 14 # nb_atoms 8 in [atoms/unit cell] 13 # weight 69.72 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 156.76 volume of unit cell in [A^3] 15 16 # v_sound 2740 in [m/s] 16 17 # T_m 302.91 melting temperature in [K] -
trunk/nlib/data/Gd.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 29.3 coherent scattering cross section in [barn]10 # sigma_inc 151 incoherent scattering cross section in [barn]11 # sigma_abs 49700 absorption scattering cross section in [barn]9 # sigma_coh 29.3 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 151 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 49700 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.90 in [g/cm^3] 13 # weight 157.25 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 157.25 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 66.21 volume of unit cell in [A^3] 15 16 # v_sound 2680 in [m/s] 16 17 # T_m 1585 melting temperature in [K] -
trunk/nlib/data/Ge.lau
r2896 r2925 1 1 # TITLE *-Ge-[FD3-MS] Cooper, A.S.[1983] [irritant] 2 # CELL 5.65 6750 5.656750 5.65675090.000000 90.000000 90.0000002 # CELL 5.657906 5.657906 5.657906 90.000000 90.000000 90.000000 3 3 # SPCGRP F D 3 M CUBIC STRUCTURE 4 4 # ATOM GE 1 0.000000 0.000000 0.000000 … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 8.42 coherent scattering cross section in [barn]10 # sigma_inc 0 incoherent scattering cross section in [barn] (was 0.18)11 # sigma_abs 0 absorption scattering cross section in [barn] (was 2.2)9 # sigma_coh 8.42 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.18 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.2 absorption scattering cross section (single atom) in [barn] 12 12 # density 5.323 in [g/cm^3] 13 # weight 72.64 in [g/mol] 14 # nb_atoms 16 in [atoms/unit cell] 13 # weight 72.64 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 181.12 volume of unit cell in [A^3] 15 16 # v_sound 5400 in [m/s] 16 17 # T_m 1211.4 melting temperature in [K] 17 18 # T_b 3093 boiling temperature in [K] 18 19 # At_number 32 atomic number Z 19 # lattice_a 5.65735 lattice parameter a in [Angs] (was 5.65675)20 # lattice_a 657906 lattice parameter a in [Angs] 20 21 # 21 22 # Format parameters: Crystallographica format -
trunk/nlib/data/Ge.laz
r2012 r2925 1 1 # TITLE *-Ge-[FD3-MS] Cooper, A.S.[1983] [irritant] 2 # CELL 5.65 6750 5.656750 5.65675090.000000 90.000000 90.0000002 # CELL 5.657906 5.657906 5.657906 90.000000 90.000000 90.000000 3 3 # SPCGRP F D 3 M CUBIC STRUCTURE 4 4 # ATOM GE 1 0.000000 0.000000 0.000000 … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 8.42 coherent scattering cross section in [barn]10 # sigma_inc 0.18 incoherent scattering cross section in [barn]11 # sigma_abs 2.2 absorption scattering cross section in [barn]9 # sigma_coh 8.42 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.18 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.2 absorption scattering cross section (single atom) in [barn] 12 12 # density 5.323 in [g/cm^3] 13 # weight 72.64 in [g/mol] 14 # nb_atoms 16 in [atoms/unit cell] 13 # weight 72.64 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 181.12 volume of unit cell in [A^3] 15 16 # v_sound 5400 in [m/s] 16 17 # T_m 1211.4 melting temperature in [K] 17 18 # T_b 3093 boiling temperature in [K] 18 19 # At_number 32 atomic number Z 19 # lattice_a 5.65675lattice parameter a in [Angs]20 # lattice_a 657906 lattice parameter a in [Angs] 20 21 # 21 22 # Format parameters: Lazy format <http://icsd.ill.fr> -
trunk/nlib/data/H2O_ice_1h.laz
r2012 r2925 1 # TITLE *Ice 1h-H2O-[P63/MMC] Goto, A.;Hondoh, T.;Mae, S.[199 4] [normal hexagonal Ice 1h at 243 K]1 # TITLE *Ice 1h-H2O-[P63/MMC] Goto, A.;Hondoh, T.;Mae, S.[1990] [normal hexagonal Ice 1h at 243 K] 2 2 # CELL 4.511000 4.511000 7.346000 90.000000 90.000000 120.000000 3 3 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE … … 9 9 # 10 10 # Physical parameters: 11 # sigma_coh 7.75 coherent scattering cross section in [barn]12 # sigma_inc 160.52 incoherent scattering cross section in [barn]13 # sigma_abs 0.6652 absorption scattering cross section in [barn]11 # sigma_coh 7.75 coherent scattering cross section for H2O in [barn] 12 # sigma_inc 160.52 incoherent scattering cross section for H2O in [barn] 13 # sigma_abs 0.6652 absorption scattering cross section for H2O in [barn] 14 14 # density 0.92 in [g/cm^3] 15 # weight 18.01 in [g/mol] 16 # nb_atoms 12 in [atoms/unit cell] 15 # weight 18.01 in [g/mol] for H2O 16 # multiplicity 4 in [H2O/unit cell] 17 # Vc 129.17 volume of unit cell in [A^3] 17 18 # v_sound_l 2919 velocity of longitudinal sound in [m/s] 18 19 # v_sound_t 1788 velocity of transversal sound in [m/s] -
trunk/nlib/data/He4_liq_coh.sqw
r1464 r2925 2 2 # liquid He4: coherent part, no incoherent, atomic number 2 3 3 # Elementary Excitation Data by R.J. Donnelly et al., J. Low Temp. Phys., 44 (1981) 471 4 # line width is constant4 # WARNING: line width is constant, intensity is not right 5 5 # 6 6 # Physical parameters: -
trunk/nlib/data/Hg.laz
r2438 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 20.24 coherent scattering cross section in [barn]10 # sigma_inc 6.6 incoherent scattering cross section in [barn]11 # sigma_abs 372.3 absorption scattering cross section in [barn]9 # sigma_coh 20.24 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 6.6 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 372.3 absorption scattering cross section (single atom) in [barn] 12 12 # density 14.24 in [g/cm^3] 13 # weight 200.6 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 200.6 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 45.09 volume of unit cell in [A^3] 15 16 # v_sound 1407 in [m/s] 16 17 # T_m 234.32 melting temperature in [K] -
trunk/nlib/data/I2.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 7.0 coherent scattering cross sectionin [barn]10 # sigma_inc 0. 62 incoherent scattering cross sectionin [barn]11 # sigma_abs 12.3 absorption scattering cross sectionin [barn]9 # sigma_coh 3.5 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.31 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 6.15 absorption scattering cross section (single atom) in [barn] 12 12 # density 4.94 in [g/cm^3] 13 # weight 253.8 in [g/mol] (2x126.9) 14 # nb_atoms 8 in [atoms/unit cell] 13 # weight 126.90 in [g/mol] (single atom) 14 # multiplicity 8 in [atom/unit cell] 15 # Vc 331.78 volume of unit cell in [A^3] 15 16 # T_m 386.85 melting temperature in [K] 16 17 # T_b 457.4 boiling temperature in [K] -
trunk/nlib/data/In.lau
r2079 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 2.08 coherent scattering cross section in [barn]10 # sigma_inc 0.54 incoherent scattering cross section in [barn]11 # sigma_abs 193.8 absorption scattering cross section in [barn]9 # sigma_coh 2.08 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.54 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 193.8 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.31 in [g/cm^3] 13 # weight 114.8 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 114.8 in [g/mol] (single atom) 14 # multiplicity 2 in [atom/unit cell] 15 # Vc 52.26 volume of unit cell in [A^3] 15 16 # v_sound 1215 in [m/s] 16 17 # T_m 429.75 melting temperature in [K] -
trunk/nlib/data/K.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 1.69 coherent scattering cross section in [barn]10 # sigma_inc 0.27 incoherent scattering cross section in [barn]11 # sigma_abs 2.1 absorption scattering cross section in [barn]9 # sigma_coh 1.69 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.27 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 2.1 absorption scattering cross section (single atom) in [barn] 12 12 # density 0.856 in [g/cm^3] 13 # weight 39.10 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 39.10 in [g/mol] (single atom) 14 # multiplicity 2 in [atom/unit cell] 15 # Vc 151.25 volume of unit cell in [A^3] 15 16 # v_sound 2000 in [m/s] 16 17 # T_m 336.53 melting temperature in [K] -
trunk/nlib/data/Li.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 0.454 coherent scattering cross section in [barn]10 # sigma_inc 0.92 incoherent scattering cross section in [barn]11 # sigma_abs 70.5 absorption scattering cross section in [barn]9 # sigma_coh 0.454 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.92 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 70.5 absorption scattering cross section (single atom) in [barn] 12 12 # density 0.535 in [g/cm^3] 13 # weight 6.941 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 6.941 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 43.21 volume of unit cell in [A^3] 15 16 # v_sound 6000 in [m/s] 16 17 # T_m 453.69 melting temperature in [K] -
trunk/nlib/data/LiF.laz
r2012 r2925 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 4.46 coherent scattering cross section in [barn]11 # sigma_inc 0.921 incoherent scattering cross section in [barn]12 # sigma_abs 70.51 absorption scattering cross section in [barn]10 # sigma_coh 4.46 coherent scattering cross section for LiF in [barn] 11 # sigma_inc 0.921 incoherent scattering cross section for LiF in [barn] 12 # sigma_abs 70.51 absorption scattering cross section for LiF in [barn] 13 13 # density 2.60 in [g/cm^3] 14 # weight 25.94 in [g/mol] 15 # nb_atoms 8 in [atoms/unit cell] 14 # weight 25.94 in [g/mol] for LiF 15 # multiplicity 4 in [atoms/unit cell] 16 # Vc 65.3 volume of unit cell in [A^3] 16 17 # T_m 1140 melting temperature in [K] 17 18 # T_b 1949 boiling temperature in [K] -
trunk/nlib/data/Na2Ca3Al2F14.laz
r2012 r2925 12 12 # 13 13 # Physical parameters: 14 # sigma_coh 70.890 coherent scattering cross section in [barn] 15 # sigma_inc 3.4176 incoherent scattering cross section in [barn] 16 # sigma_abs 2.9464 absorption scattering cross section in [barn] 17 # weight 486.15 in [g/mol] 18 # V_0 1079.1 in [Angs^3] 19 # nb_atoms 84 in [atoms/unit cell] 14 # sigma_coh 70.890 coherent scattering cross section for Na2Ca3Al2F14 in [barn] 15 # sigma_inc 3.4176 incoherent scattering cross section for Na2Ca3Al2F14 in [barn] 16 # sigma_abs 2.9464 absorption scattering cross section for Na2Ca3Al2F14 in [barn] 17 # density 2.99 in [g/cm^3] 18 # weight 486.15 in [g/mol] for Na2Ca3Al2F14 19 # multiplicity 4 in [atoms/unit cell] 20 # Vc 1079.1 volume of unit cell in [A^3] 20 21 # lattice_a 10.2531 lattice parameter a in [Angs] 21 22 # -
trunk/nlib/data/Nb.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 8.57 coherent scattering cross section in [barn]10 # sigma_inc 0.0024 incoherent scattering cross section in [barn]11 # sigma_abs 1.15 absorption scattering cross section in [barn]9 # sigma_coh 8.57 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.0024 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 1.15 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.87 in [g/cm^3] 13 # weight 92.90 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 92.90 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 36.14 volume of unit cell in [A^3] 15 16 # v_sound 3480 in [m/s] 16 17 # T_m 2750 melting temperature in [K] -
trunk/nlib/data/Ni.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 13.3 coherent scattering cross section in [barn]10 # sigma_inc 5.2 incoherent scattering cross section in [barn]11 # sigma_abs 4.49 absorption scattering cross section in [barn]9 # sigma_coh 13.3 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 5.2 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 4.49 absorption scattering cross section (single atom) in [barn] 12 12 # density 8.908 in [g/cm^3] 13 # weight 58.69 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 58.69 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 43.76 volume of unit cell in [A^3] 15 16 # v_sound 4970 in [m/s] 16 17 # v_sound_l 6040 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Pb.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 11.115 coherent scattering cross section in [barn]10 # sigma_inc 0.003 incoherent scattering cross section in [barn]11 # sigma_abs 0.171 absorption scattering cross section in [barn]9 # sigma_coh 11.115 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.003 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.171 absorption scattering cross section (single atom) in [barn] 12 12 # density 11.3 in [g/cm^3] 13 # weight 207.2 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 207.2 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 121.29 volume of unit cell in [A^3] 15 16 # v_sound 1260 in [m/s] 16 17 # v_sound_l 2160 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Pd.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 4.39 coherent scattering cross section in [barn]10 # sigma_inc 0.093 incoherent scattering cross section in [barn]11 # sigma_abs 6.9 absorption scattering cross section in [barn]9 # sigma_coh 4.39 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.093 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 6.9 absorption scattering cross section (single atom) in [barn] 12 12 # density 12.02 in [g/cm^3] 13 # weight 106.4 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 13 # weight 106.4 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 58.75 volume of unit cell in [A^3] 15 16 # v_sound 3070 in [m/s] 16 17 # T_m 1828.05 melting temperature in [K] -
trunk/nlib/data/Pt.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 11.58 coherent scattering cross section in [barn] 10 # sigma_inc 0.13 incoherent scattering cross section in [barn] 11 # sigma_abs 10.3 absorption scattering cross section in [barn] 12 # density 21.5 in [g/cm^3] 13 # weight 195.1 in [g/mol] 14 # nb_atoms 4 in [atoms/unit cell] 9 # sigma_coh 11.58 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.13 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 10.3 absorption scattering cross section (single atom) in [barn] 12 # density 21.5 in [g/cm^3] 13 # weight 195.1 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 60.38 volume of unit cell in [A^3] 15 16 # v_sound 2680 in [m/s] 16 17 # v_sound_l 3260 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Rb.laz
r2012 r2925 8 8 # Physical parameters: 9 9 # density 1.532 in [g/cm^3] 10 # weight 85.47 in [g/mol] 11 # sigma_abs 0.38 absorption scattering cross section in [barn]12 # sigma_coh 6.32 coherent scattering cross section in [barn]13 # sigma_inc 0.5 incoherent scattering cross section in [barn]10 # weight 85.47 in [g/mol] (single atom) 11 # sigma_abs 0.38 absorption scattering cross section (single atom) in [barn] 12 # sigma_coh 6.32 coherent scattering cross section (single atom) in [barn] 13 # sigma_inc 0.5 incoherent scattering cross section (single atom) in [barn] 14 14 # v_sound 1300 in [m/s] 15 # nb_atoms 2 in [atoms/unit cell] 15 # multiplicity 2 in [atoms/unit cell] 16 # Vc 176.09 volume of unit cell in [A^3] 16 17 # T_m 312.46 melting temperature in [K] 17 18 # T_b 961 boiling temperature in [K] -
trunk/nlib/data/Se_alpha.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 7.98 coherent scattering cross section in [barn] 10 # sigma_inc 0.32 incoherent scattering cross section in [barn] 11 # sigma_abs 11.7 absorption scattering cross section in [barn] 12 # density 4.39 in [g/cm^3] 13 # weight 78.96 in [g/mol] 14 # nb_atoms 3 in [atoms/unit cell] 9 # sigma_coh 7.98 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.32 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 11.7 absorption scattering cross section (single atom) in [barn] 12 # density 4.81 in [g/cm^3] 13 # weight 78.96 in [g/mol] (single atom) 14 # multiplicity 3 in [atoms/unit cell] 15 # Vc 81.78 volume of unit cell in [A^3] 15 16 # v_sound 3350 in [m/s] 16 17 # T_m 494 melting temperature in [K] -
trunk/nlib/data/Se_beta.laz
r2012 r2925 14 14 # 15 15 # Physical parameters: 16 # sigma_coh 7.98 coherent scattering cross section in [barn] 17 # sigma_inc 0.32 incoherent scattering cross section in [barn] 18 # sigma_abs 11.7 absorption scattering cross section in [barn] 19 # density 4.81 in [g/cm^3] 20 # weight 78.96 in [g/mol] 21 # nb_atoms 32 in [atoms/unit cell] 16 # sigma_coh 7.98 coherent scattering cross section (single atom) in [barn] 17 # sigma_inc 0.32 incoherent scattering cross section (single atom) in [barn] 18 # sigma_abs 11.7 absorption scattering cross section (single atom) in [barn] 19 # density 4.35 in [g/cm^3] 20 # weight 78.96 in [g/mol] (single atom) 21 # multiplicity 32 in [atoms/unit cell] 22 # Vc 964 volume of unit cell in [A^3] 22 23 # v_sound 3350 in [m/s] 23 24 # T_m 494 melting temperature in [K] -
trunk/nlib/data/Si.laz
r2012 r2925 12 12 # density 2.33 in [g/cm^3] 13 13 # weight 28.08 in [g/mol] 14 # nb_atoms 16 in [atoms/unit cell] 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 160.15 volume of unit cell in [A^3] 15 16 # v_sound 2200 in [m/s] 16 17 # T_m 1687 melting temperature in [K] -
trunk/nlib/data/SiO2_quartza.lau
r2012 r2925 1 # quartz (SiO2): rhombohedric 2 # a=b=4.9133, c=5.4053, aa=bb=90, cc=120; 1 # TITLE *Quartz $-alpha-SiO2-[P3121] Tucker, M.G.;Keen, D.A.;Dove[2001] [Quartz-alpha at 20 K] 2 # CELL 4.901900 4.901900 5.398800 90.000000 90.000000 120.000000 3 # SPCGRP P 31 21 TRIGONAL STRUCTURE 4 # ATOM SI 1 0.467300 0.000000 0.333300 5 # ATOM O 1 0.413000 0.271100 0.217200 6 # SCATTERING FACTOR COEFFICIENTS: SI F= 0.416 CM-12 ; O F= 0.581 CM-12 7 # Reference: 3 8 # 4 9 # Physical parameters: 5 # sigma_coh 10.625 coherent scattering cross section in [barn]6 # sigma_inc 0.0056 incoherent scattering cross section in [barn]7 # sigma_abs 0.1714 absorption scattering cross section in [barn]10 # sigma_coh 10.625 coherent scattering cross section for SiO2 in [barn] 11 # sigma_inc 0.0056 incoherent scattering cross section for SiO2 in [barn] 12 # sigma_abs 0.1714 absorption scattering cross section for SiO2 in [barn] 8 13 # density 2.65 in [g/cm^3] 9 # weight 60.08 in [g/mol] 10 # nb_atoms 9 in [atoms/unit cell] 14 # weight 60.08 in [g/mol] for SiO2 15 # multiplicity 3 in [atoms/unit cell] 16 # Vc 112.35 volume of unit cell in [A^3] 11 17 # T_m 846 melting temperature in [K] 12 18 # T_b 2503 boiling temperature in [K] -
trunk/nlib/data/SiO2_quartza.laz
r2012 r2925 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 10.625 coherent scattering cross section in [barn]11 # sigma_inc 0.0056 incoherent scattering cross section in [barn]12 # sigma_abs 0.1714 absorption scattering cross section in [barn]10 # sigma_coh 10.625 coherent scattering cross section for SiO2 in [barn] 11 # sigma_inc 0.0056 incoherent scattering cross section for SiO2 in [barn] 12 # sigma_abs 0.1714 absorption scattering cross section for SiO2 in [barn] 13 13 # density 2.65 in [g/cm^3] 14 # weight 60.08 in [g/mol] 15 # nb_atoms 9 in [atoms/unit cell] 14 # weight 60.08 in [g/mol] for SiO2 15 # multiplicity 3 in [atoms/unit cell] 16 # Vc 112.35 volume of unit cell in [A^3] 16 17 # T_m 846 melting temperature in [K] 17 18 # T_b 2503 boiling temperature in [K] -
trunk/nlib/data/SiO2_quartzb.lau
r2012 r2925 1 # quartz-beta (SiO2): 'P 62 2 2' (180) hexagonal 2 # a=b=5.01, c=5.47, aa=bb=90, cc=120; Sigma_a = 0.171; 1 # TITLE *Quartz $-beta-SiO2-[P6422] Tucker, M.G.;Keen, D.A.;Dove,[2001] [Quartz-beta at 1020 K] 2 # CELL 4.996500 4.996500 5.454300 90.000000 90.000000 120.000000 3 # SPCGRP P 6 42 2 HEXAGONAL STRUCTURE 4 # ATOM SI 1 0.500000 0.000000 0.000000 5 # ATOM O 1 0.416900 0.208450 0.833300 6 # SCATTERING FACTOR COEFFICIENTS: SI F= 0.416 CM-12 ; O F= 0.581 CM-12 7 # Reference: 3 8 # 4 9 # Physical parameters: 5 # sigma_coh 10.625 coherent scattering cross section in [barn]6 # sigma_inc 0.0056 incoherent scattering cross section in [barn]7 # sigma_abs 0.1714 absorption scattering cross section in [barn]10 # sigma_coh 10.625 coherent scattering cross section for SiO2 in [barn] 11 # sigma_inc 0.0056 incoherent scattering cross section for SiO2 in [barn] 12 # sigma_abs 0.1714 absorption scattering cross section for SiO2 in [barn] 8 13 # density 2.53 in [g/cm^3] 9 # weight 60.08 in [g/mol] 10 # nb_atoms 9 in [atoms/unit cell] 14 # weight 60.08 in [g/mol] for SiO2 15 # multiplicity 3 in [atoms/unit cell] 16 # Vc 117.92 volume of unit cell in [A^3] 11 17 # T_m 1140 melting temperature in [K] 12 18 # T_b 2503 boiling temperature in [K] -
trunk/nlib/data/SiO2_quartzb.laz
r2012 r2925 8 8 # 9 9 # Physical parameters: 10 # sigma_coh 10.625 coherent scattering cross section in [barn]11 # sigma_inc 0.0056 incoherent scattering cross section in [barn]12 # sigma_abs 0.1714 absorption scattering cross section in [barn]10 # sigma_coh 10.625 coherent scattering cross section for SiO2 in [barn] 11 # sigma_inc 0.0056 incoherent scattering cross section for SiO2 in [barn] 12 # sigma_abs 0.1714 absorption scattering cross section for SiO2 in [barn] 13 13 # density 2.53 in [g/cm^3] 14 # weight 60.08 in [g/mol] 15 # nb_atoms 9 in [atoms/unit cell] 14 # weight 60.08 in [g/mol] for SiO2 15 # multiplicity 3 in [atoms/unit cell] 16 # Vc 117.92 volume of unit cell in [A^3] 16 17 # T_m 1140 melting temperature in [K] 17 18 # T_b 2503 boiling temperature in [K] -
trunk/nlib/data/Sn_alpha.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 4.871 coherent scattering cross section in [barn]10 # sigma_inc 0.022 incoherent scattering cross section in [barn]11 # sigma_abs 0.626 absorption scattering cross section in [barn]9 # sigma_coh 4.871 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.022 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.626 absorption scattering cross section (single atom) in [barn] 12 12 # density 5.77 in [g/cm^3] 13 # weight 118.7 in [g/mol] 14 # nb_atoms 16 in [atoms/unit cell] 13 # weight 118.7 in [g/mol] (single atom) 14 # multiplicity 8 in [atoms/unit cell] 15 # Vc 273.26 volume of unit cell in [A^3] 15 16 # T_m 505.08 melting temperature in [K] 16 17 # T_b 2875 boiling temperature in [K] -
trunk/nlib/data/Sn_beta.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 4.871 coherent scattering cross section in [barn]10 # sigma_inc 0.022 incoherent scattering cross section in [barn]11 # sigma_abs 0.626 absorption scattering cross section in [barn]9 # sigma_coh 4.871 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.022 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.626 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.31 in [g/cm^3] 13 # weight 118.7 in [g/mol] 14 # nb_atoms 8 in [atoms/unit cell] 13 # weight 118.7 in [g/mol] (single atom) 14 # multiplicity 4 in [atoms/unit cell] 15 # Vc 108.25 volume of unit cell in [A^3] 15 16 # v_sound 2500 in [m/s] 16 17 # v_sound_l 3320 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Ti.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 1.485 coherent scattering cross section in [barn]10 # sigma_inc 2.87 incoherent scattering cross section in [barn]11 # sigma_abs 6.09 absorption scattering cross section in [barn]9 # sigma_coh 1.485 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 2.87 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 6.09 absorption scattering cross section (single atom) in [barn] 12 12 # density 4.507 in [g/cm^3] 13 # weight 47.87 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 47.87 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 35.33 volume of unit cell in [A^3] 15 16 # v_sound 4140 in [m/s] 16 17 # v_sound_l 6070 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Tl.laz
r2012 r2925 1 1 # TITLE *-Tl-[P63/MMC] Lipson, H.;Stokes, A.R.[1941] [Tl-alpha below 505 K, toxic] 2 2 # CELL 3.456600 3.456600 5.524800 90.000000 90.000000 120.000000 3 # SPCGRP P 63/M M C 3 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE 4 4 # ATOM TL 1 0.333300 0.666700 0.250000 5 5 # SCATTERING FACTOR COEFFICIENTS: TL F= 0.878 CM-12 … … 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 9.678 coherent scattering cross section in [barn]10 # sigma_inc 0.21 incoherent scattering cross section in [barn]11 # sigma_abs 3.43 absorption scattering cross section in [barn]9 # sigma_coh 9.678 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.21 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 3.43 absorption scattering cross section (single atom) in [barn] 12 12 # density 11.85 in [g/cm^3] 13 # weight 204.4 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 204.4 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 57.17 volume of unit cell in [A^3] 15 16 # v_sound 818 in [m/s] 16 17 # T_m 577 melting temperature in [K] -
trunk/nlib/data/V.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 0.0184 coherent scattering cross section in [barn]10 # sigma_inc 4.935 incoherent scattering cross section in [barn]11 # sigma_abs 5.08 absorption scattering cross section in [barn]9 # sigma_coh 0.0184 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 4.935 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 5.08 absorption scattering cross section (single atom) in [barn] 12 12 # density 6.11 in [g/cm^3] 13 # weight 50.94 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 50.94 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 27.66 volume of unit cell in [A^3] 15 16 # v_sound 4560 in [m/s] 16 17 # T_m 2183 melting temperature in [K] -
trunk/nlib/data/Y2O3.laz
r2375 r2925 11 11 # 12 12 # Physical parameters: 13 # sigma_coh 27.79 coherent scattering cross section in [barn] 14 # sigma_inc 0.302 incoherent scattering cross section in [barn] 15 # sigma_abs 2.56 absorption scattering cross section in [barn] 16 # density 5.03.87 in [g/cm^3] 17 # weight 225.81 in [g/mol] 18 # Vc 1192.3 in [Angs^3] volume of the cell 13 # sigma_coh 27.79 coherent scattering cross section for Y2O3 in [barn] 14 # sigma_inc 0.302 incoherent scattering cross section for Y2O3 in [barn] 15 # sigma_abs 2.56 absorption scattering cross section for Y2O3 in [barn] 16 # density 5.03 in [g/cm^3] 17 # weight 225.81 in [g/mol] for Y2O3 18 # multiplicity 16 in [atoms/unit cell] 19 # Vc 1192.3 volume of unit cell in [A^3] 20 # lattice_a 10.6056 lattice parameter a in [Angs] 19 21 # 20 22 # Format parameters: Lazy format <http://icsd.ill.fr> -
trunk/nlib/data/Y3Fe5O12_YIG.laz
r2244 r2925 11 11 # 12 12 # Physical parameters: 13 # sigma_coh 129.52 coherent scattering cross section in [barn]14 # sigma_inc 2.459 incoherent scattering cross section in [barn]15 # sigma_abs 16.64 absorption scattering cross section in [barn]13 # sigma_coh 129.52 coherent scattering cross section for Y3Fe5O12 in [barn] 14 # sigma_inc 2.459 incoherent scattering cross section for Y3Fe5O12 in [barn] 15 # sigma_abs 16.64 absorption scattering cross section for Y3Fe5O12 in [barn] 16 16 # density 5.17 in [g/cm^3] 17 # weight 737.9 in [g/mol] 18 # nb_atoms 160 in [atoms/unit cell] 17 # weight 737.9 in [g/mol] for Y3Fe5O12 18 # multiplicity 8 in [atoms/unit cell] 19 # Vc 1895.57 volume of unit cell in [A^3] 19 20 # T_m 1828 melting temperature in [K] 20 21 # lattice_a 12.376 lattice parameter a in [Angs] -
trunk/nlib/data/Zn.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 4.054 coherent scattering cross section in [barn]10 # sigma_inc 0.077 incoherent scattering cross section in [barn]11 # sigma_abs 1.11 absorption scattering cross section in [barn]9 # sigma_coh 4.054 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.077 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 1.11 absorption scattering cross section (single atom) in [barn] 12 12 # density 7.14 in [g/cm^3] 13 # weight 65.41 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 65.41 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 30.43 volume of unit cell in [A^3] 15 16 # v_sound 3700 in [m/s] 16 17 # v_sound_l 4210 velocity of longitudinal sound in [m/s] -
trunk/nlib/data/Zr.laz
r2012 r2925 7 7 # 8 8 # Physical parameters: 9 # sigma_coh 6.44 coherent scattering cross section in [barn]10 # sigma_inc 0.02 incoherent scattering cross section in [barn]11 # sigma_abs 0.185 absorption scattering cross section in [barn]9 # sigma_coh 6.44 coherent scattering cross section (single atom) in [barn] 10 # sigma_inc 0.02 incoherent scattering cross section (single atom) in [barn] 11 # sigma_abs 0.185 absorption scattering cross section (single atom) in [barn] 12 12 # density 6.511 in [g/cm^3] 13 # weight 91.22 in [g/mol] 14 # nb_atoms 2 in [atoms/unit cell] 13 # weight 91.22 in [g/mol] (single atom) 14 # multiplicity 2 in [atoms/unit cell] 15 # Vc 46.57 volume of unit cell in [A^3] 15 16 # v_sound 3800 in [m/s] 16 17 # T_m 2128 melting temperature in [K] -
trunk/nlib/data/adrenaline.lau
r2012 r2925 1 # TITLE *Adrenaline C9H13NO3 1 2 # Adrenaline: P 21 (4) monoclinic 2 3 # a=7.873, b=6.790, c=8.638; aa=cc=90, bb=98.02; -
trunk/nlib/data/aspirin.lau
r2012 r2925 1 # TITLE *Aspirin C9H8O4 1 2 # Aspirinanhydride: 'P 41 21 2' (92) tetragonal 2 3 # a=b=8.457, c=23.166; 90 deg; -
trunk/nlib/data/leucine.lau
r2012 r2925 1 # TITLE *Leucine C6H13NO2 1 2 # L-Leucine: 'P 21' (4) monoclinic 2 3 # a=9.562, b=5.301, c=14.519; aa=cc=90, bb=94.20;
