Data library_v2.6.0
WARNING: This page concerns historical NCrystal v2.6.0 and is kept here for reference only!! Most users will like to visit the current Data-library page instead.
This page last updated with NCrystal release v2.6.0. (the historical NCrystal-v2.0.0 library page is kept here for reference)
NB: Please also check here for the actual version-controlled data files.
If you do not find a given material below you can request help creating such a file.
You might also find some additional (both validated and unvalidated/incomplete) materials in the ncrystal-extra repository.
| Data file (.ncmat) |
Properties | Plots & validation |
|---|---|---|
| Ag_sg225 | Structure: F m -3 m (225) ρ = 10.5 g/cm³ ρn = 0.05863 atoms/ų Inelastic models: 100% Ag: VDOS Full info dump |
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| Al2O3_sg167_Corundum | Structure: R -3 c (167) ρ = 3.991 g/cm³ ρn = 0.1179 atoms/ų Inelastic models: 60% O: VDOS 40% Al: VDOS Full info dump |
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| Al_sg225 | Structure: F m -3 m (225) ρ = 2.699 g/cm³ ρn = 0.06023 atoms/ų Inelastic models: 100% Al: VDOS Full info dump |
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Ar_Gas_STP Note: Density hardcoded in file is valid for STP (T=293.15K, P=1atm) (copy, rename, and edit file for other settings). |
Structure: Non-crystalline ρ = 0.001782 g/cm³ ρn = 2.687e-05 atoms/ų Inelastic models: 100% Ar: Free gas model Full info dump |
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| Au_sg225 | Structure: F m -3 m (225) ρ = 19.29 g/cm³ ρn = 0.05897 atoms/ų Inelastic models: 100% Au: VDOS Full info dump |
  Resonances in the eV region are not modelled. |
| Ba_sg229 | Structure: I m -3 m (229) ρ = 3.594 g/cm³ ρn = 0.01576 atoms/ų Inelastic models: 100% Ba: VDOS Full info dump |
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| BeF2_sg152_Beryllium_Fluoride | Structure: P 31 2 1 (152) ρ = 2.321 g/cm³ ρn = 0.0892 atoms/ų Inelastic models: 33.3% Be: VDOS 66.7% F: VDOS Full info dump |
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| BeO_sg186 | Structure: P 63 m c (186) ρ = 3.023 g/cm³ ρn = 0.1456 atoms/ų Inelastic models: 50% Be: VDOS 50% O: VDOS Full info dump |
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| Be_sg194 | Structure: P 63/m m c (194) ρ = 1.845 g/cm³ ρn = 0.1233 atoms/ų Inelastic models: 100% Be: VDOS Full info dump |
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C_sg194_pyrolytic_graphite Note: file contains embedded configuration "lcaxis=0,0,1" |
Structure: P 63/m m c (194) ρ = 2.261 g/cm³ ρn = 0.1134 atoms/ų Inelastic models: 100% C: VDOS Full info dump |
  Low energy cross section is underestimated. This is likely due to strong coherent single phonon effects, absent in the incoherent approximation.  |
| C_sg227_Diamond | Structure: F d -3 m (227) ρ = 3.516 g/cm³ ρn = 0.1763 atoms/ų Inelastic models: 100% C: VDOS Full info dump |
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| CaCO3_sg62_Aragonite | Structure: P n m a (62) ρ = 2.928 g/cm³ ρn = 0.0881 atoms/ų Inelastic models: 20% C: VDOS 60% O: VDOS 20% Ca: VDOS Full info dump |
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| Ca_sg225 | Structure: F m -3 m (225) ρ = 1.535 g/cm³ ρn = 0.02307 atoms/ų Inelastic models: 100% Ca: Debye model Full info dump |
  Sample in the measurement is a natural crystal with unknow purity. |
| Ca_sg229_Calcium-gamma | Structure: I m -3 m (229) ρ = 1.584 g/cm³ ρn = 0.0238 atoms/ų Inelastic models: 100% Ca: Debye model Full info dump |
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| Cr_sg229 | Structure: I m -3 m (229) ρ = 7.2 g/cm³ ρn = 0.08339 atoms/ų Inelastic models: 100% Cr: VDOS Full info dump |
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| Cu2O_sg224_Cuprite | Structure: P n -3 m (224) ρ = 6.11 g/cm³ ρn = 0.07715 atoms/ų Inelastic models: 33.3% O: VDOS 66.7% Cu: VDOS Full info dump |
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| Cu_sg225 | Structure: F m -3 m (225) ρ = 8.935 g/cm³ ρn = 0.08467 atoms/ų Inelastic models: 100% Cu: VDOS Full info dump |
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| Fe_sg225_Iron-gamma | Structure: F m -3 m (225) ρ = 7.578 g/cm³ ρn = 0.08172 atoms/ų Inelastic models: 100% Fe: VDOS Full info dump |
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| Fe_sg229_Iron-alpha | Structure: I m -3 m (229) ρ = 7.865 g/cm³ ρn = 0.08482 atoms/ų Inelastic models: 100% Fe: VDOS Full info dump |
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| Ge_sg227 | Structure: F d -3 m (227) ρ = 5.329 g/cm³ ρn = 0.04418 atoms/ų Inelastic models: 100% Ge: VDOS Full info dump |
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He_Gas_STP Note: Density hardcoded in file is valid for STP (T=293.15K, P=1atm) (copy, rename, and edit file for other settings). |
Structure: Non-crystalline ρ = 0.0001786 g/cm³ ρn = 2.687e-05 atoms/ų Inelastic models: 100% He: Free gas model Full info dump |
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Kr_Gas_STP Note: Density hardcoded in file is valid for STP (T=293.15K, P=1atm) (copy, rename, and edit file for other settings). |
Structure: Non-crystalline ρ = 0.003739 g/cm³ ρn = 2.687e-05 atoms/ų Inelastic models: 100% Kr: Free gas model Full info dump |
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LiquidHeavyWaterD2O_T293.6K Note: File contains scattering kernel valid only at T=293.6K. Files for certain other temperatures can be found in the ncrystal-extra repo. Note: Density of material hardcoded in file might depend on pressure. Check comments in file, and copy, rename, and edit file if the setting is not suitable for your work. |
Structure: Non-crystalline ρ = 1.105 g/cm³ ρn = 0.0997 atoms/ų Inelastic models: 66.7% D: Fixed kernel 33.3% O: Fixed kernel Full info dump |
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LiquidWaterH2O_T293.6K Note: File contains scattering kernel valid only at T=293.6K. Files for certain other temperatures can be found in the ncrystal-extra repo. Note: Density of material hardcoded in file might depend on pressure. Check comments in file, and copy, rename, and edit file if the setting is not suitable for your work. |
Structure: Non-crystalline ρ = 0.9982 g/cm³ ρn = 0.1001 atoms/ų Inelastic models: 66.7% H: Fixed kernel 33.3% O: Free gas model Full info dump |
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| MgO_sg225_Periclase | Structure: F m -3 m (225) ρ = 3.585 g/cm³ ρn = 0.1071 atoms/ų Inelastic models: 50% O: VDOS 50% Mg: VDOS Full info dump |
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| Mg_sg194 | Structure: P 63/m m c (194) ρ = 1.737 g/cm³ ρn = 0.04303 atoms/ų Inelastic models: 100% Mg: VDOS Full info dump |
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| Mo_sg229 | Structure: I m -3 m (229) ρ = 10.22 g/cm³ ρn = 0.06415 atoms/ų Inelastic models: 100% Mo: VDOS Full info dump |
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| Na4Si3Al3O12Cl_sg218_Sodalite | Structure: P -4 3 n (218) ρ = 2.298 g/cm³ ρn = 0.06568 atoms/ų Inelastic models: 52.2% O: Debye model 17.4% Na: Debye model 13% Al: Debye model 13% Si: Debye model 4.35% Cl: Debye model Full info dump |
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| Na_sg229 | Structure: I m -3 m (229) ρ = 0.9666 g/cm³ ρn = 0.02532 atoms/ų Inelastic models: 100% Na: VDOS Full info dump |
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| Nb_sg229 | Structure: I m -3 m (229) ρ = 8.583 g/cm³ ρn = 0.05563 atoms/ų Inelastic models: 100% Nb: VDOS Full info dump |
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Ne_Gas_STP Note: Density hardcoded in file is valid for STP (T=293.15K, P=1atm) (copy, rename, and edit file for other settings). |
Structure: Non-crystalline ρ = 0.0009003 g/cm³ ρn = 2.687e-05 atoms/ų Inelastic models: 100% Ne: Free gas model Full info dump |
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| Ni_sg225 | Structure: F m -3 m (225) ρ = 8.908 g/cm³ ρn = 0.09141 atoms/ų Inelastic models: 100% Ni: VDOS Full info dump |
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| Pb_sg225 | Structure: F m -3 m (225) ρ = 11.34 g/cm³ ρn = 0.03297 atoms/ų Inelastic models: 100% Pb: VDOS Full info dump |
   Crystal orientation in EXFOR 13761010 is unknown |
| Pd_sg225 | Structure: F m -3 m (225) ρ = 12.01 g/cm³ ρn = 0.06796 atoms/ų Inelastic models: 100% Pd: VDOS Full info dump |
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| Pt_sg225 | Structure: F m -3 m (225) ρ = 21.46 g/cm³ ρn = 0.06625 atoms/ų Inelastic models: 100% Pt: VDOS Full info dump |
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| Rb_sg229 | Structure: I m -3 m (229) ρ = 1.612 g/cm³ ρn = 0.01136 atoms/ų Inelastic models: 100% Rb: VDOS Full info dump |
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| Sc_sg194 | Structure: P 63/m m c (194) ρ = 2.986 g/cm³ ρn = 0.04 atoms/ų Inelastic models: 100% Sc: VDOS Full info dump |
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| SiLu2O5_sg15 | Structure: C 2/c (15) ρ = 7.404 g/cm³ ρn = 0.07788 atoms/ų Inelastic models: 62.5% O: Debye model 12.5% Si: Debye model 25% Lu: Debye model Full info dump |
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| SiO2_sg154_Quartz | Structure: P 32 2 1 (154) ρ = 2.649 g/cm³ ρn = 0.07964 atoms/ų Inelastic models: 66.7% O: VDOS 33.3% Si: VDOS Full info dump |
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| Si_sg227 | Structure: F d -3 m (227) ρ = 2.329 g/cm³ ρn = 0.04995 atoms/ų Inelastic models: 100% Si: VDOS Full info dump |
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| Sn_sg141 | Structure: I 41/a m d (141) ρ = 7.331 g/cm³ ρn = 0.0372 atoms/ų Inelastic models: 100% Sn: VDOS Full info dump |
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| Sr_sg225 | Structure: F m -3 m (225) ρ = 2.583 g/cm³ ρn = 0.01776 atoms/ų Inelastic models: 100% Sr: Debye model Full info dump |
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| Ti_sg194 | Structure: P 63/m m c (194) ρ = 4.501 g/cm³ ρn = 0.05663 atoms/ų Inelastic models: 100% Ti: VDOS Full info dump |
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| UO2_sg225_Uraninite | Structure: F m -3 m (225) ρ = 10.97 g/cm³ ρn = 0.07339 atoms/ų Inelastic models: 66.7% O: VDOS 33.3% U: VDOS Full info dump |
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| V_sg229 | Structure: I m -3 m (229) ρ = 6.118 g/cm³ ρn = 0.07232 atoms/ų Inelastic models: 100% V: VDOS Full info dump |
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| W_sg229 | Structure: I m -3 m (229) ρ = 19.26 g/cm³ ρn = 0.0631 atoms/ų Inelastic models: 100% W: VDOS Full info dump |
  Resonances in the eV region are not modelled. |
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Xe_Gas_STP Note: Density hardcoded in file is valid for STP (T=293.15K, P=1atm) (copy, rename, and edit file for other settings). |
Structure: Non-crystalline ρ = 0.005858 g/cm³ ρn = 2.687e-05 atoms/ų Inelastic models: 100% Xe: Free gas model Full info dump |
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| Y2O3_sg206_Yttrium_Oxide | Structure: I a -3 (206) ρ = 4.976 g/cm³ ρn = 0.06636 atoms/ų Inelastic models: 60% O: VDOS 40% Y: VDOS Full info dump |
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| Y_sg194 | Structure: P 63/m m c (194) ρ = 4.472 g/cm³ ρn = 0.03029 atoms/ų Inelastic models: 100% Y: VDOS Full info dump |
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| Zn_sg194 | Structure: P 63/m m c (194) ρ = 7.139 g/cm³ ρn = 0.06574 atoms/ų Inelastic models: 100% Zn: VDOS Full info dump |
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| Zr_sg194 | Structure: P 63/m m c (194) ρ = 6.506 g/cm³ ρn = 0.04295 atoms/ų Inelastic models: 100% Zr: VDOS Full info dump |
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