cif stringlengths 674 4.09k | formula stringlengths 1 20 | spacegroup stringlengths 2 10 | spacegroup_number int64 1 230 | crystal_system stringclasses 7
values | pointgroup stringlengths 1 5 | density float64 91.6 41.4k | is_longer_than_allowed bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_ScTa2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52303613
_cell_length_b 4.52303613
_cell_length_c 4.52303613
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTa2Fe
_chemical_fo... | FeScTa2 | Fm-3m | 225 | cubic | m-3m | 11,742.763115 | false |
[CIF]
data_Tl2ZnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32947348
_cell_length_b 5.32947348
_cell_length_c 3.44262482
_cell_angle_alpha 92.68417248
_cell_angle_beta 92.68417248
_cell_angle_gamma 102.29537579
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2ZnP
_chemical_for... | PTl2Zn | C2/m | 12 | monoclinic | 2/m | 8,803.933287 | false |
[CIF]
data_TiFeCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78191442
_cell_length_b 4.78191442
_cell_length_c 4.78191442
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiFeCu4
_chemical_fo... | Cu4FeTi | F-43m | 216 | cubic | -43m | 7,686.268349 | false |
[CIF]
data_MnCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23135826
_cell_length_b 4.23135826
_cell_length_c 4.23135826
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCrRu2
_chemical_fo... | CrMnRu2 | Fm-3m | 225 | cubic | m-3m | 9,580.482425 | false |
[CIF]
data_AgSn2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.46538412
_cell_length_b 4.01401722
_cell_length_c 5.60144555
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgSn2Ru
_chemical_fo... | AgRuSn2 | Pmm2 | 25 | orthorhombic | mm2 | 9,512.65802 | false |
[CIF]
data_Y2SbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37415976
_cell_length_b 5.37415976
_cell_length_c 5.37415976
_cell_angle_alpha 132.80186894
_cell_angle_beta 123.08423878
_cell_angle_gamma 76.97731989
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2SbRu
_chemical_fo... | RuSbY2 | Immm | 71 | orthorhombic | mmm | 7,176.377812 | false |
[CIF]
data_YInMoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74171812
_cell_length_b 4.74171812
_cell_length_c 4.74171812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YInMoOs
_chemical_fo... | InMoOsY | F-43m | 216 | cubic | -43m | 10,791.370725 | false |
[CIF]
data_Li2NbFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39908674
_cell_length_b 5.39908674
_cell_length_c 5.39908674
_cell_angle_alpha 146.99202618
_cell_angle_beta 138.08655188
_cell_angle_gamma 54.35583616
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2NbFe
_chemical_... | FeLi2Nb | Immm | 71 | orthorhombic | mmm | 4,746.053253 | false |
[CIF]
data_K2TiTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77703104
_cell_length_b 4.77703104
_cell_length_c 5.14798164
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2TiTc
_chemical_form... | K2TcTi | P4/mmm | 123 | tetragonal | 4/mmm | 3,179.949359 | false |
[CIF]
data_Gd2ErB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08288860
_cell_length_b 5.08288860
_cell_length_c 5.08288860
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd2ErB
_chemical_form... | BErGd2 | Fm-3m | 225 | cubic | m-3m | 8,808.465897 | false |
[CIF]
data_BaTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41547718
_cell_length_b 6.41547718
_cell_length_c 6.41547718
_cell_angle_alpha 50.34036638
_cell_angle_beta 50.34036638
_cell_angle_gamma 50.34036638
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTiO3
_chemical_form... | Ba2O6Ti2 | R-3 | 148 | trigonal | -3 | 5,373.276673 | false |
[CIF]
data_BaTiBeTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27056197
_cell_length_b 5.27056197
_cell_length_c 5.27056197
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTiBeTl
_chemical_... | BaBeTiTl | F-43m | 216 | cubic | -43m | 6,393.212758 | false |
[CIF]
data_LaBMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46101629
_cell_length_b 4.46101629
_cell_length_c 4.46101629
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBMo2
_chemical_form... | BLaMo2 | Fm-3m | 225 | cubic | m-3m | 9,037.054337 | false |
[CIF]
data_HgPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19973299
_cell_length_b 6.19973299
_cell_length_c 6.19973299
_cell_angle_alpha 152.00850569
_cell_angle_beta 152.00850569
_cell_angle_gamma 40.00088143
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgPRu
_chemical_form... | HgPRu | I4mm | 107 | tetragonal | 4mm | 10,542.901441 | false |
[CIF]
data_SiBi2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96763365
_cell_length_b 4.96763365
_cell_length_c 3.54728873
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiBi2B
_chemical_form... | BBi2Si | P4/mmm | 123 | tetragonal | 4/mmm | 8,666.305742 | false |
[CIF]
data_Zn2IrPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07207207
_cell_length_b 5.07207207
_cell_length_c 5.07207207
_cell_angle_alpha 132.35292333
_cell_angle_beta 132.35292333
_cell_angle_gamma 69.67219077
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2IrPb
_chemical_... | IrPbZn2 | I4/mmm | 139 | tetragonal | 4/mmm | 12,595.887231 | false |
[CIF]
data_LiMoCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22235841
_cell_length_b 6.22235841
_cell_length_c 6.22235841
_cell_angle_alpha 153.30925233
_cell_angle_beta 153.30925233
_cell_angle_gamma 38.10437828
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiMoCl
_chemical_fo... | ClLiMo | I4mm | 107 | tetragonal | 4mm | 4,734.06181 | false |
[CIF]
data_CaCuAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81814958
_cell_length_b 4.81814958
_cell_length_c 4.81814958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaCuAg2
_chemical_fo... | Ag2CaCu | Fm-3m | 225 | cubic | m-3m | 6,705.08555 | false |
[CIF]
data_Th2SN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01711136
_cell_length_b 4.01711136
_cell_length_c 6.89231404
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th2SN2
_chemical_for... | N2STh2 | P-3m1 | 164 | trigonal | -3m | 9,036.302988 | false |
[CIF]
data_CaZnRhPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84786752
_cell_length_b 4.84786752
_cell_length_c 4.84786752
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZnRhPb
_chemical_... | CaPbRhZn | F-43m | 216 | cubic | -43m | 8,565.431778 | false |
[CIF]
data_YTi2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35736776
_cell_length_b 3.35736776
_cell_length_c 6.48951789
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTi2P
_chemical_formul... | PTi2Y | P4/mmm | 123 | tetragonal | 4/mmm | 4,894.579158 | false |
[CIF]
data_RuRhCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99208195
_cell_length_b 2.99208195
_cell_length_c 7.97139516
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuRhCl2
_chemical_fo... | Cl2RhRu | P4mm | 99 | tetragonal | 4mm | 6,396.075448 | false |
[CIF]
data_BeTlCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46526611
_cell_length_b 6.46526611
_cell_length_c 6.46526611
_cell_angle_alpha 152.24697094
_cell_angle_beta 150.38539270
_cell_angle_gamma 41.03296497
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeTlCd
_chemical_fo... | BeCdTl | Imm2 | 44 | orthorhombic | mm2 | 8,718.400356 | false |
[CIF]
data_KAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.93951800
_cell_length_b 9.03245858
_cell_length_c 6.51469123
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KAl2
_chemical_formula_... | Al4K2 | Pnnm | 58 | orthorhombic | mmm | 1,786.786362 | false |
[CIF]
data_B2TeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56388770
_cell_length_b 3.56388770
_cell_length_c 5.95070455
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B2TeBr
_chemical_form... | B2BrTe | P4mm | 99 | tetragonal | 4mm | 5,033.930187 | false |
[CIF]
data_K2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01057100
_cell_length_b 4.01057100
_cell_length_c 9.57241650
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2ZnHg
_chemical_form... | HgK2Zn | P4mm | 99 | tetragonal | 4mm | 3,711.79356 | false |
[CIF]
data_KLiHfTi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09221679
_cell_length_b 5.09221679
_cell_length_c 5.09221679
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KLiHfTi
_chemical_fo... | HfKLiTi | F-43m | 216 | cubic | -43m | 4,844.451889 | false |
[CIF]
data_SrTi2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13713652
_cell_length_b 5.13713652
_cell_length_c 5.13713652
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTi2In
_chemical_fo... | InSrTi2 | Fm-3m | 225 | cubic | m-3m | 5,164.967956 | false |
[CIF]
data_SrCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84573781
_cell_length_b 5.84573781
_cell_length_c 5.84573781
_cell_angle_alpha 146.04770256
_cell_angle_beta 146.04770256
_cell_angle_gamma 48.77591408
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCu2
_chemical_form... | Cu2Sr | I4/mmm | 139 | tetragonal | 4/mmm | 5,746.869782 | false |
[CIF]
data_LiZnCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40997598
_cell_length_b 6.40997598
_cell_length_c 6.40997598
_cell_angle_alpha 146.70719893
_cell_angle_beta 146.70719893
_cell_angle_gamma 47.79751847
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiZnCl2
_chemical_... | Cl2LiZn | I-4m2 | 119 | tetragonal | -42m | 3,009.071959 | false |
[CIF]
data_Hf2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39806254
_cell_length_b 5.39806254
_cell_length_c 3.12618600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.01122661
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2CdIn
_chemical_f... | CdHf2In | Cmmm | 65 | orthorhombic | mmm | 11,333.858799 | false |
[CIF]
data_SbW3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23193624
_cell_length_b 4.23193624
_cell_length_c 4.23193624
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbW3C
_chemical_formul... | CSbW3 | Pm-3m | 221 | cubic | m-3m | 15,014.351818 | false |
[CIF]
data_La2TiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37514193
_cell_length_b 6.37514193
_cell_length_c 6.37514193
_cell_angle_alpha 147.71715465
_cell_angle_beta 132.36122536
_cell_angle_gamma 58.71976854
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2TiRh
_chemical_... | La2RhTi | Imm2 | 44 | orthorhombic | mm2 | 7,017.371963 | false |
[CIF]
data_SnHgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91713401
_cell_length_b 4.91713401
_cell_length_c 4.78051263
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnHgPb2
_chemical_fo... | HgPb2Sn | P4/mmm | 123 | tetragonal | 4/mmm | 10,540.6904 | false |
[CIF]
data_Zr2CuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65904943
_cell_length_b 4.65904943
_cell_length_c 3.25958440
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2CuRu
_chemical_fo... | CuRuZr2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,145.201946 | false |
[CIF]
data_SrFeTcBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95517666
_cell_length_b 4.95517666
_cell_length_c 4.95517666
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrFeTcBi
_chemical_... | BiFeSrTc | F-43m | 216 | cubic | -43m | 8,711.674772 | false |
[CIF]
data_Hf2TiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58660128
_cell_length_b 5.58660128
_cell_length_c 5.58660128
_cell_angle_alpha 147.05694113
_cell_angle_beta 130.16300340
_cell_angle_gamma 61.04151400
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2TiNi
_chemical_... | Hf2NiTi | Imm2 | 44 | orthorhombic | mm2 | 10,724.385496 | false |
[CIF]
data_NaRhCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38887174
_cell_length_b 3.38887174
_cell_length_c 6.72470368
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaRhCl2
_chemical_fo... | Cl2NaRh | P4/mmm | 123 | tetragonal | 4/mmm | 4,231.492505 | false |
[CIF]
data_CaTa2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02886463
_cell_length_b 5.02886463
_cell_length_c 5.02886463
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTa2In
_chemical_fo... | CaInTa2 | Fm-3m | 225 | cubic | m-3m | 9,542.668577 | false |
[CIF]
data_MgCrFeCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26159176
_cell_length_b 4.26159176
_cell_length_c 4.26159176
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgCrFeCu
_chemical_... | CrCuFeMg | F-43m | 216 | cubic | -43m | 5,937.749309 | false |
[CIF]
data_K2MnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.12090951
_cell_length_b 12.12090951
_cell_length_c 12.12090951
_cell_angle_alpha 13.39306572
_cell_angle_beta 13.39306572
_cell_angle_gamma 13.39306572
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2MnMo
_chemical_f... | K2MnMo | R-3m | 166 | trigonal | -3m | 4,576.82822 | false |
[CIF]
data_InSiNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20233806
_cell_length_b 3.20233806
_cell_length_c 5.56374155
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InSiNi2
_chemical_fo... | InNi2Si | P4mm | 99 | tetragonal | 4mm | 7,575.403665 | false |
[CIF]
data_BiPd2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94075738
_cell_length_b 4.94075738
_cell_length_c 4.94075738
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiPd2Br
_chemical_fo... | BiBrPd2 | F-43m | 216 | cubic | -43m | 9,768.969026 | false |
[CIF]
data_LiTiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94055821
_cell_length_b 4.94055821
_cell_length_c 4.94055821
_cell_angle_alpha 140.66103562
_cell_angle_beta 140.66103562
_cell_angle_gamma 56.85097236
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiTiAu
_chemical_fo... | AuLiTi | I4mm | 107 | tetragonal | 4mm | 8,698.735383 | false |
[CIF]
data_NiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90495664
_cell_length_b 5.90495664
_cell_length_c 5.90495664
_cell_angle_alpha 153.04107947
_cell_angle_beta 153.04107947
_cell_angle_gamma 38.49489794
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiPt2
_chemical_form... | NiPt2 | I4/mmm | 139 | tetragonal | 4/mmm | 17,642.455294 | false |
[CIF]
data_MnNiSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99533782
_cell_length_b 3.99533782
_cell_length_c 5.46180400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnNiSb2
_chemical_f... | MnNiSb2 | P-3m1 | 164 | trigonal | -3m | 7,854.666318 | false |
[CIF]
data_K2NaLi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39468888
_cell_length_b 4.39468888
_cell_length_c 10.17481680
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2NaLi
_chemical_for... | K2LiNa | P4/mmm | 123 | tetragonal | 4/mmm | 913.6963 | false |
[CIF]
data_SiNiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95218632
_cell_length_b 2.95218632
_cell_length_c 7.14875330
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiNiAs2
_chemical_fo... | As2NiSi | P4/mmm | 123 | tetragonal | 4/mmm | 6,306.473351 | false |
[CIF]
data_TiBe3Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06352630
_cell_length_b 4.06352630
_cell_length_c 4.06352630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiBe3Si
_chemical_fo... | Be3SiTi | Pm-3m | 221 | cubic | m-3m | 2,548.771533 | false |
[CIF]
data_ZnSiRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07881679
_cell_length_b 8.07881679
_cell_length_c 8.07881679
_cell_angle_alpha 20.25761817
_cell_angle_beta 20.25761817
_cell_angle_gamma 20.25761817
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnSiRu2
_chemical_fo... | Ru2SiZn | R-3m | 166 | trigonal | -3m | 8,874.201633 | false |
[CIF]
data_CaSc2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45342980
_cell_length_b 3.45342980
_cell_length_c 7.63656214
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaSc2Fe
_chemical_fo... | CaFeSc2 | P4mm | 99 | tetragonal | 4mm | 3,388.262456 | false |
[CIF]
data_Ca2LaCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67289272
_cell_length_b 4.67289272
_cell_length_c 5.50931272
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2LaCr
_chemical_fo... | Ca2CrLa | P4/mmm | 123 | tetragonal | 4/mmm | 3,741.464185 | false |
[CIF]
data_ReHg2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27234611
_cell_length_b 5.27234611
_cell_length_c 5.27234611
_cell_angle_alpha 129.66730693
_cell_angle_beta 129.66730693
_cell_angle_gamma 73.93919209
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReHg2Te
_chemical_... | Hg2ReTe | I-4m2 | 119 | tetragonal | -42m | 14,017.458242 | false |
[CIF]
data_HfSn2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79229742
_cell_length_b 4.79229742
_cell_length_c 4.79229742
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfSn2Ru
_chemical_fo... | HfRuSn2 | Fm-3m | 225 | cubic | m-3m | 11,030.788264 | false |
[CIF]
data_RbYb(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19333796
_cell_length_b 6.19333796
_cell_length_c 8.19255600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbYb(WO4)2
_chem... | O8RbW2Yb | P-3m1 | 164 | trigonal | -3m | 4,601.869372 | false |
[CIF]
data_Na2ScMn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.73780870
_cell_length_b 11.73780870
_cell_length_c 11.73780870
_cell_angle_alpha 15.33630763
_cell_angle_beta 15.33630763
_cell_angle_gamma 15.33630763
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2ScMn
_chemical... | MnNa2Sc | R-3m | 166 | trigonal | -3m | 2,457.815047 | false |
[CIF]
data_TlPd2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60805032
_cell_length_b 4.60805032
_cell_length_c 3.49290861
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.68491030
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlPd2Se
_chemical_fo... | Pd2SeTl | Cmmm | 65 | orthorhombic | mmm | 11,109.656295 | false |
[CIF]
data_BeBi2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84945363
_cell_length_b 5.84945363
_cell_length_c 5.84945363
_cell_angle_alpha 139.29801739
_cell_angle_beta 125.57302642
_cell_angle_gamma 70.13214952
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeBi2Se
_chemical_... | BeBi2Se | Immm | 71 | orthorhombic | mmm | 8,061.619829 | false |
[CIF]
data_RePdRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61049382
_cell_length_b 4.61049382
_cell_length_c 4.61049382
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RePdRh3
_chemical_fo... | PdReRh3 | Pm-3m | 221 | cubic | m-3m | 10,188.948938 | false |
[CIF]
data_PdPt2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71465549
_cell_length_b 2.71465549
_cell_length_c 8.88266149
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.37929725
_symmetry_Int_Tables_number 1
_chemical_formula_structural PdPt2Rh
_chemical_f... | PdPt2Rh | Cmmm | 65 | orthorhombic | mmm | 16,120.984621 | false |
[CIF]
data_CaMnNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82653536
_cell_length_b 4.82653536
_cell_length_c 4.82653536
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMnNb
_chemical_form... | CaMnNb | F-43m | 216 | cubic | -43m | 3,924.96897 | false |
[CIF]
data_BaSr2V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59953802
_cell_length_b 7.59953802
_cell_length_c 7.59953802
_cell_angle_alpha 147.72461173
_cell_angle_beta 129.53780774
_cell_angle_gamma 61.17875687
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSr2V
_chemical_fo... | BaSr2V | Immm | 71 | orthorhombic | mmm | 3,371.126796 | false |
[CIF]
data_TcGeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24648207
_cell_length_b 6.24648207
_cell_length_c 6.24648207
_cell_angle_alpha 150.51361082
_cell_angle_beta 150.51361082
_cell_angle_gamma 42.18799728
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcGeSb
_chemical_fo... | GeSbTc | I4mm | 107 | tetragonal | 4mm | 8,267.896969 | false |
[CIF]
data_V2AgRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82978033
_cell_length_b 3.82978033
_cell_length_c 3.94901350
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2AgRh
_chemical_form... | AgRhV2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,964.002078 | false |
[CIF]
data_SrTiFeHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79697852
_cell_length_b 4.79697852
_cell_length_c 4.79697852
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTiFeHg
_chemical_... | FeHgSrTi | F-43m | 216 | cubic | -43m | 8,337.971703 | false |
[CIF]
data_Mn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42035174
_cell_length_b 2.42035174
_cell_length_c 2.42035174
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn
_chemical_formula_s... | Mn | Im-3m | 229 | cubic | m-3m | 8,358.122522 | false |
[CIF]
data_CrBi2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45404393
_cell_length_b 3.45404393
_cell_length_c 7.06538570
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.17635678
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrBi2B
_chemical_form... | BBi2Cr | Cmmm | 65 | orthorhombic | mmm | 9,472.934024 | false |
[CIF]
data_MoP2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10360605
_cell_length_b 3.10360605
_cell_length_c 7.24703028
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoP2Se
_chemical_form... | MoP2Se | P4mm | 99 | tetragonal | 4mm | 5,634.577573 | false |
[CIF]
data_ZrMnAlMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47781033
_cell_length_b 4.47781033
_cell_length_c 4.47781033
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrMnAlMo
_chemical_... | AlMnMoZr | F-43m | 216 | cubic | -43m | 7,038.603393 | false |
[CIF]
data_LiScBe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39528062
_cell_length_b 4.39528062
_cell_length_c 4.39528062
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiScBe
_chemical_form... | BeLiSc | F-43m | 216 | cubic | -43m | 1,684.559717 | false |
[CIF]
data_Cd4BiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64027568
_cell_length_b 5.64027568
_cell_length_c 5.64027568
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd4BiOs
_chemical_fo... | BiCd4Os | F-43m | 216 | cubic | -43m | 11,109.545838 | false |
[CIF]
data_FeGePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76389326
_cell_length_b 4.76389326
_cell_length_c 4.76389326
_cell_angle_alpha 131.82118507
_cell_angle_beta 131.82118507
_cell_angle_gamma 70.51159266
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeGePd2
_chemical_... | FeGePd2 | I-4m2 | 119 | tetragonal | -42m | 9,633.990888 | false |
[CIF]
data_Ca2YOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50384867
_cell_length_b 3.50384867
_cell_length_c 9.55982680
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2YOs
_chemical_form... | Ca2OsY | P4mm | 99 | tetragonal | 4mm | 5,083.461967 | false |
[CIF]
data_Tc2GeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50353720
_cell_length_b 4.50353720
_cell_length_c 6.78689628
_cell_angle_alpha 117.17374802
_cell_angle_beta 117.17374802
_cell_angle_gamma 38.20511994
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2GeCl
_chemical_... | ClGeTc2 | C2/m | 12 | monoclinic | 2/m | 6,815.538115 | false |
[CIF]
data_Ba4ZnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08603511
_cell_length_b 7.08603511
_cell_length_c 7.08603511
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba4ZnP
_chemical_form... | Ba4PZn | F-43m | 216 | cubic | -43m | 4,261.4683 | false |
[CIF]
data_SrCaAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.32337736
_cell_length_b 10.32337736
_cell_length_c 10.32337736
_cell_angle_alpha 20.80329115
_cell_angle_beta 20.80329115
_cell_angle_gamma 20.80329115
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCaAl2
_chemical... | Al2CaSr | R-3m | 166 | trigonal | -3m | 2,482.685167 | false |
[CIF]
data_SrHf2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79985745
_cell_length_b 4.79985745
_cell_length_c 3.94901946
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHf2Mo
_chemical_fo... | Hf2MoSr | P4/mmm | 123 | tetragonal | 4/mmm | 9,867.00248 | false |
[CIF]
data_SnBi2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10658081
_cell_length_b 5.10658081
_cell_length_c 3.91390617
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 99.86514903
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnBi2Pt
_chemical_fo... | Bi2PtSn | Cmmm | 65 | orthorhombic | mmm | 12,084.074612 | false |
[CIF]
data_Si2TeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04915402
_cell_length_b 5.04915402
_cell_length_c 5.04915402
_cell_angle_alpha 132.37849740
_cell_angle_beta 132.37849740
_cell_angle_gamma 69.63188432
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2TeW
_chemical_fo... | Si2TeW | I4/mmm | 139 | tetragonal | 4/mmm | 8,859.917001 | false |
[CIF]
data_SrAu2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24819000
_cell_length_b 5.24819000
_cell_length_c 5.24819000
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrAu2Cl
_chemical_fo... | Au2ClSr | Fm-3m | 225 | cubic | m-3m | 8,399.068931 | false |
[CIF]
data_KCrPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90651996
_cell_length_b 5.90651996
_cell_length_c 5.90651996
_cell_angle_alpha 151.97571098
_cell_angle_beta 126.31078823
_cell_angle_gamma 61.64628768
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCrPt2
_chemical_fo... | CrKPt2 | Immm | 71 | orthorhombic | mmm | 10,326.097839 | false |
[CIF]
data_CeCrS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83180600
_cell_length_b 3.81692900
_cell_length_c 13.17652000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeCrS3
_chemical_for... | Ce4Cr4S12 | Pnma | 62 | orthorhombic | mmm | 4,861.694871 | false |
[CIF]
data_TiAlV2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20246962
_cell_length_b 5.20246962
_cell_length_c 6.12387232
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 129.51504661
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAlV2
_chemical_for... | Al2Ti2V4 | Cmcm | 63 | orthorhombic | mmm | 4,590.245416 | false |
[CIF]
data_Be2FeP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72199901
_cell_length_b 3.72199901
_cell_length_c 3.72199901
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2FeP
_chemical_form... | Be2FeP | F-43m | 216 | cubic | -43m | 4,775.021118 | false |
[CIF]
data_CaZrRuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71434601
_cell_length_b 4.71434601
_cell_length_c 4.71434601
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZrRuPt
_chemical_... | CaPtRuZr | F-43m | 216 | cubic | -43m | 9,580.565632 | false |
[CIF]
data_ZrAsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32536590
_cell_length_b 4.32536590
_cell_length_c 4.32536590
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrAsRh
_chemical_form... | AsRhZr | F-43m | 216 | cubic | -43m | 7,807.829313 | false |
[CIF]
data_Sb(S8I)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.73864173
_cell_length_b 14.73864173
_cell_length_c 14.73864173
_cell_angle_alpha 118.94718533
_cell_angle_beta 118.94718533
_cell_angle_gamma 118.94718533
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb(S8I)3
_che... | I3S24Sb | R3m | 160 | trigonal | 3m | 2,485.471616 | false |
[CIF]
data_RbTe3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17758304
_cell_length_b 6.17758304
_cell_length_c 6.17758304
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbTe3Os
_chemical_fo... | OsRbTe3 | Pm-3m | 221 | cubic | m-3m | 4,638.180545 | false |
[CIF]
data_HfNbTcBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79777288
_cell_length_b 4.79777288
_cell_length_c 4.79777288
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNbTcBi
_chemical_... | BiHfNbTc | F-43m | 216 | cubic | -43m | 12,317.875423 | false |
[CIF]
data_HfGaMoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51652632
_cell_length_b 4.51652632
_cell_length_c 4.51652632
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfGaMoIr
_chemical_... | GaHfIrMo | F-43m | 216 | cubic | -43m | 13,671.971077 | false |
[CIF]
data_BaY2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55034117
_cell_length_b 5.55034117
_cell_length_c 7.38250527
_cell_angle_alpha 112.09511605
_cell_angle_beta 112.09511605
_cell_angle_gamma 41.48833038
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaY2Re
_chemical_fo... | BaReY2 | Cm | 8 | monoclinic | m | 6,035.31692 | false |
[CIF]
data_Zr2ReOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29250682
_cell_length_b 3.29250682
_cell_length_c 6.60460687
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2ReOs
_chemical_fo... | OsReZr2 | P4/mmm | 123 | tetragonal | 4/mmm | 12,961.975993 | false |
[CIF]
data_CrCuIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70940934
_cell_length_b 4.70940934
_cell_length_c 4.70940934
_cell_angle_alpha 133.58375336
_cell_angle_beta 133.58375336
_cell_angle_gamma 67.73887358
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCuIr2
_chemical_... | CrCuIr2 | I-4m2 | 119 | tetragonal | -42m | 15,411.584291 | false |
[CIF]
data_AlTcPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40300326
_cell_length_b 4.40300326
_cell_length_c 4.40300326
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTcPt2
_chemical_fo... | AlPt2Tc | F-43m | 216 | cubic | -43m | 14,197.559166 | false |
[CIF]
data_YbAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84936800
_cell_length_b 4.84936800
_cell_length_c 4.84936800
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbAl3
_chemical_formul... | Al3Yb | Fm-3m | 225 | cubic | m-3m | 5,230.46159 | false |
[CIF]
data_ScSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03758232
_cell_length_b 4.03758232
_cell_length_c 3.61356302
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScSi2
_chemical_formu... | ScSi2 | P6/mmm | 191 | hexagonal | 6/mmm | 3,291.598065 | false |
[CIF]
data_CdBRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46744165
_cell_length_b 7.46744165
_cell_length_c 7.46744165
_cell_angle_alpha 22.93704300
_cell_angle_beta 22.93704300
_cell_angle_gamma 22.93704300
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBRu2
_chemical_form... | BCdRu2 | R-3m | 166 | trigonal | -3m | 9,734.345331 | false |
[CIF]
data_NbBW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23122635
_cell_length_b 5.23122635
_cell_length_c 5.23122635
_cell_angle_alpha 147.56420282
_cell_angle_beta 147.56420282
_cell_angle_gamma 46.52910796
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbBW
_chemical_formul... | BNbW | I4mm | 107 | tetragonal | 4mm | 11,636.424526 | false |
[CIF]
data_Bi2BrCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38964933
_cell_length_b 5.38964933
_cell_length_c 5.38964933
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi2BrCl
_chemical_fo... | Bi2BrCl | Fm-3m | 225 | cubic | m-3m | 7,999.606894 | false |
[CIF]
data_NaZn2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37082079
_cell_length_b 4.37082079
_cell_length_c 4.37082079
_cell_angle_alpha 121.66054603
_cell_angle_beta 121.66054603
_cell_angle_gamma 87.14713514
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaZn2B
_chemical_fo... | BNaZn2 | I-4m2 | 119 | tetragonal | -42m | 4,753.635928 | false |
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