cif-core-field-names.csv 1.4 KB

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  1. audit.block_doi
  2. database_code.depnum_ccdc_archive
  3. database_code.depnum_ccdc_fiz
  4. database_code.ICSD
  5. database_code.MDF
  6. database_code.NBS
  7. database_code.CSD
  8. database_code.COD
  9. chemical.name_systematic
  10. chemical.name_common
  11. chemical.melting_point
  12. chemical_formula.moiety
  13. chemical_formula.sum
  14. chemical_formula.weight
  15. atom_type.symbol
  16. atom_type.description
  17. atom_type_scat.dispersion_real
  18. atom_type_scat.dispersion_imag
  19. atom_type_scat.source
  20. space_group.crystal_system
  21. space_group.name_H-M_full
  22. space_group.IT_number
  23. space_group_symop.operation_xyz
  24. cell.length_a
  25. cell.length_b
  26. cell.length_c
  27. cell.angle_alpha
  28. cell.angle_beta
  29. cell.angle_gamma
  30. cell.volume
  31. cell.formula_units_Z
  32. atom_site.label
  33. atom_site.type_symbol
  34. atom_site.fract_x
  35. atom_site.fract_y
  36. atom_site.fract_z
  37. atom_site.U_iso_or_equiv
  38. atom_site.adp_type
  39. atom_site.occupancy
  40. atom_site.calc_flag
  41. atom_site.refinement_flags
  42. atom_site.disorder_assembly
  43. atom_site.disorder_group
  44. atom_site.site_symmetry_multiplicity
  45. atom_site_aniso.label
  46. atom_site_aniso.U
  47. atom_site_aniso.U_11
  48. atom_site_aniso.U_22
  49. atom_site_aniso.U_33
  50. atom_site_aniso.U_23
  51. atom_site_aniso.U_13
  52. atom_site_aniso.U_12
  53. atom_site_aniso.U_su
  54. atom_site_aniso.U_11_su
  55. atom_site_aniso.U_22_su
  56. atom_site_aniso.U_33_su
  57. atom_site_aniso.U_23_su
  58. atom_site_aniso.U_13_su
  59. atom_site_aniso.U_12_su
  60. geom_bond.atom_site_label_1
  61. geom_bond.atom_site_label_2
  62. geom_bond.distance
  63. geom_bond.site_symmetry_1
  64. geom_bond.site_symmetry_2
  65. geom_bond.publ_flag
  66. geom_bond.valence