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_Ca2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50056705 _cell_length_b 5.50056705 _cell_length_c 5.50056705 _cell_angle_alpha 129.58660617 _cell_angle_beta 129.58660617 _cell_angle_gamma 74.06851298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlRe _chemical_...
Ca2ReTl
I4/mmm
139
tetragonal
4/mmm
8,109.909729
false
[CIF] data_NaSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64844785 _cell_length_b 4.64844785 _cell_length_c 4.64844785 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiAu2 _chemical_fo...
Au2NaSi
Fm-3m
225
cubic
m-3m
10,404.193501
false
[CIF] data_LaCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50675101 _cell_length_b 4.50675101 _cell_length_c 4.50675101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuRu _chemical_form...
CuLaRu
F-43m
216
cubic
-43m
7,786.868096
false
[CIF] data_BaLi4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25327956 _cell_length_b 6.25327956 _cell_length_c 6.25327956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi4Br _chemical_fo...
BaBrLi4
F-43m
216
cubic
-43m
2,352.869189
false
[CIF] data_Zn2NiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76442387 _cell_length_b 4.76442387 _cell_length_c 3.30456511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.16201911 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiBr _chemical_f...
BrNiZn2
Cmmm
65
orthorhombic
mmm
6,587.823898
false
[CIF] data_ZrTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78127449 _cell_length_b 4.78127449 _cell_length_c 3.73580038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe2Pt _chemical_fo...
PtTe2Zr
P4/mmm
123
tetragonal
4/mmm
10,529.644081
false
[CIF] data_Ca2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22425192 _cell_length_b 5.22425192 _cell_length_c 3.63327426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnGa _chemical_fo...
Ca2GaZn
P4/mmm
123
tetragonal
4/mmm
3,604.657547
false
[CIF] data_CuNiAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58223472 _cell_length_b 4.58223472 _cell_length_c 4.58223472 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiAgPb _chemical_...
AgCuNiPb
F-43m
216
cubic
-43m
10,673.801615
false
[CIF] data_BaY2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.27659219 _cell_length_b 11.27659219 _cell_length_c 11.27659219 _cell_angle_alpha 18.20387335 _cell_angle_beta 18.20387335 _cell_angle_gamma 18.20387335 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Re _chemical_f...
BaReY2
R3m
160
trigonal
3m
6,811.851091
false
[CIF] data_SrTlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12099587 _cell_length_b 7.12099587 _cell_length_c 7.12099587 _cell_angle_alpha 34.72673062 _cell_angle_beta 34.72673062 _cell_angle_gamma 34.72673062 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlRe2 _chemical_fo...
Re2SrTl
R3m
160
trigonal
3m
10,533.244566
false
[CIF] data_SrTaNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94072620 _cell_length_b 4.94072620 _cell_length_c 4.94072620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaNb2 _chemical_fo...
Nb2SrTa
Fm-3m
225
cubic
m-3m
8,847.316267
false
[CIF] data_NbN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91420191 _cell_length_b 4.91420191 _cell_length_c 3.14599466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbN2 _chemical_formula_...
N4Nb2
P4_2/mnm
136
tetragonal
4/mmm
5,285.82119
false
[CIF] data_LiZrSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70814327 _cell_length_b 4.70814327 _cell_length_c 4.70814327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrSnMo _chemical_...
LiMoSnZr
F-43m
216
cubic
-43m
7,039.315365
false
[CIF] data_GeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66362167 _cell_length_b 5.66362167 _cell_length_c 5.68631808 _cell_angle_alpha 103.62253920 _cell_angle_beta 103.62253920 _cell_angle_gamma 32.54325118 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeW2 _chemical_formul...
Ge2W4
C2/m
12
monoclinic
2/m
15,373.71904
false
[CIF] data_CrCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21640355 _cell_length_b 3.21640355 _cell_length_c 5.99483063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCu2Sn _chemical_fo...
CrCu2Sn
P4mm
99
tetragonal
4mm
7,973.574142
false
[CIF] data_Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90997726 _cell_length_b 4.88887668 _cell_length_c 2.71131834 _cell_angle_alpha 74.36575682 _cell_angle_beta 73.50876720 _cell_angle_gamma 32.12547598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd _chemical_formula_sum ...
Pd4
Fmmm
69
orthorhombic
mmm
10,667.349593
false
[CIF] data_KSnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50534794 _cell_length_b 6.45568877 _cell_length_c 6.45568877 _cell_angle_alpha 34.37471303 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSnBr2 _chemical_form...
Br2KSn
Amm2
38
orthorhombic
mm2
4,071.393104
false
[CIF] data_Sc3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42846262 _cell_length_b 4.34072775 _cell_length_c 6.29993787 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.16058220 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Sn _chemical_formul...
Sc3Sn
P2/m
10
monoclinic
2/m
4,494.39086
false
[CIF] data_BaCaTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65714647 _cell_length_b 3.65714647 _cell_length_c 9.20718684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaTi2 _chemical_fo...
BaCaTi2
P4mm
99
tetragonal
4mm
3,683.164767
false
[CIF] data_GeC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24111832 _cell_length_b 3.24111832 _cell_length_c 7.62070942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.98991291 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeC _chemical_formula_s...
C4Ge4
Cmcm
63
orthorhombic
mmm
4,054.615786
false
[CIF] data_KMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56537472 _cell_length_b 4.87951612 _cell_length_c 10.15224076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg _chemical_formula_s...
K2Mg2
Pmmn
59
orthorhombic
mmm
1,192.194487
false
[CIF] data_HfTlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06789323 _cell_length_b 5.06789323 _cell_length_c 5.06789323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlPb _chemical_form...
HfPbTl
F-43m
216
cubic
-43m
10,646.030082
false
[CIF] data_Co2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62550099 _cell_length_b 3.62550099 _cell_length_c 3.57212733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2NiRu _chemical_fo...
Co2NiRu
P4/mmm
123
tetragonal
4/mmm
9,818.658944
false
[CIF] data_MnHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05124731 _cell_length_b 5.05124731 _cell_length_c 5.05124731 _cell_angle_alpha 133.82530974 _cell_angle_beta 133.82530974 _cell_angle_gamma 67.36098584 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHgPd2 _chemical_...
HgMnPd2
I-4m2
119
tetragonal
-42m
11,791.840554
false
[CIF] data_MoPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65973100 _cell_length_b 6.46678900 _cell_length_c 7.57079600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPO5 _chemical_formul...
Mo4O20P4
Pnma
62
orthorhombic
mmm
3,665.138519
false
[CIF] data_La2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69000623 _cell_length_b 3.66754700 _cell_length_c 7.34295366 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.13409102 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AsRh _chemical_fo...
AsLa2Rh
P2/m
10
monoclinic
2/m
7,615.187117
false
[CIF] data_KLaTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42652977 _cell_length_b 5.42652977 _cell_length_c 5.42652977 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaTi2 _chemical_form...
KLaTi2
Fm-3m
225
cubic
m-3m
4,022.835279
false
[CIF] data_Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24259755 _cell_length_b 3.24259755 _cell_length_c 3.24259755 _cell_angle_alpha 98.67809202 _cell_angle_beta 98.67809202 _cell_angle_gamma 134.28551397 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe _chemical_formula_sum...
Fe2
I4_1/amd
141
tetragonal
4/mmm
8,246.443716
false
[CIF] data_NaMgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13373785 _cell_length_b 7.11279460 _cell_length_c 3.18255700 _cell_angle_alpha 77.45946545 _cell_angle_beta 76.72443100 _cell_angle_gamma 25.81610355 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgZn _chemical_form...
MgNaZn
Fmm2
42
orthorhombic
mm2
2,734.415857
false
[CIF] data_YLu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52465047 _cell_length_b 3.52465047 _cell_length_c 4.98262300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YLu _chemical_formula_su...
LuY
P4/mmm
123
tetragonal
4/mmm
7,078.69721
false
[CIF] data_Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48239588 _cell_length_b 4.48239588 _cell_length_c 4.66120216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.42556744 _symmetry_Int_Tables_number 1 _chemical_formula_structural Se _chemical_formula_sum...
Se2
Cmcm
63
orthorhombic
mmm
4,699.356772
false
[CIF] data_LiCaMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31529766 _cell_length_b 6.31529766 _cell_length_c 6.31529766 _cell_angle_alpha 145.01741836 _cell_angle_beta 145.01741836 _cell_angle_gamma 50.30856787 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaMg _chemical_fo...
CaLiMg
I4mm
107
tetragonal
4mm
1,437.651682
false
[CIF] data_InGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44680005 _cell_length_b 3.44680005 _cell_length_c 8.43058171 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGa2Br _chemical_fo...
BrGa2In
P4/mmm
123
tetragonal
4/mmm
5,540.184575
false
[CIF] data_NaSb4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57672245 _cell_length_b 6.57672245 _cell_length_c 6.57672245 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb4Br _chemical_fo...
BrNaSb4
F-43m
216
cubic
-43m
4,870.110445
false
[CIF] data_CaInSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06351097 _cell_length_b 8.06351097 _cell_length_c 8.06351097 _cell_angle_alpha 31.32261985 _cell_angle_beta 31.32261985 _cell_angle_gamma 31.32261985 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInSe2 _chemical_fo...
CaInSe2
R3m
160
trigonal
3m
4,130.502169
false
[CIF] data_Re2SiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25893862 _cell_length_b 5.25893862 _cell_length_c 5.25893862 _cell_angle_alpha 145.64105597 _cell_angle_beta 124.40138839 _cell_angle_gamma 67.01406706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SiTe _chemical_...
Re2SiTe
Immm
71
orthorhombic
mmm
13,123.297379
false
[CIF] data_SiMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98865842 _cell_length_b 4.98865842 _cell_length_c 4.53719695 _cell_angle_alpha 110.11738340 _cell_angle_beta 110.11738340 _cell_angle_gamma 32.90422541 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoOs2 _chemical_...
MoOs2Si
Cm
8
monoclinic
m
14,630.720601
false
[CIF] data_SrGe4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62375998 _cell_length_b 5.62375998 _cell_length_c 5.62375998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGe4Mo _chemical_fo...
Ge4MoSr
F-43m
216
cubic
-43m
6,260.231006
false
[CIF] data_AlInSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71419301 _cell_length_b 5.71419301 _cell_length_c 5.71419301 _cell_angle_alpha 148.23212818 _cell_angle_beta 129.92243156 _cell_angle_gamma 60.53196104 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInSi2 _chemical_...
AlInSi2
Imm2
44
orthorhombic
mm2
4,402.792184
false
[CIF] data_YCrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37398516 _cell_length_b 4.37398516 _cell_length_c 3.34475678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCrMo _chemical_formu...
CrMoY
P3m1
156
trigonal
3m
7,097.323702
false
[CIF] data_AgSn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84634058 _cell_length_b 4.84634058 _cell_length_c 4.84634058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSn2W _chemical_form...
AgSn2W
Fm-3m
225
cubic
m-3m
10,916.494715
false
[CIF] data_NaVF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80643600 _cell_length_b 7.98550600 _cell_length_c 5.55786000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVF3 _chemical_formul...
F12Na4V4
Pnma
62
orthorhombic
mmm
3,374.557948
false
[CIF] data_La2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48673170 _cell_length_b 3.48673170 _cell_length_c 8.33611956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VSi _chemical_form...
La2SiV
P4mm
99
tetragonal
4mm
5,846.811948
false
[CIF] data_Sr2ScTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.77898750 _cell_length_b 10.77898750 _cell_length_c 10.77898750 _cell_angle_alpha 22.29070889 _cell_angle_beta 22.29070889 _cell_angle_gamma 22.29070889 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScTe _chemical...
ScSr2Te
R3m
160
trigonal
3m
3,655.006263
false
[CIF] data_BaCrCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22540501 _cell_length_b 5.22540501 _cell_length_c 5.22540501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrCdPd _chemical_...
BaCdCrPd
F-43m
216
cubic
-43m
6,717.820351
false
[CIF] data_Tl2CdAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45355297 _cell_length_b 3.94513644 _cell_length_c 8.08948871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdAs _chemical_fo...
AsCdTl2
Pmm2
25
orthorhombic
mm2
8,980.870086
false
[CIF] data_RbTl3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20628048 _cell_length_b 6.20628048 _cell_length_c 6.20628048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTl3Pt _chemical_fo...
PtRbTl3
Pm-3m
221
cubic
m-3m
6,207.939636
false
[CIF] data_LiMgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69364497 _cell_length_b 4.69364497 _cell_length_c 4.21986465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgSb2 _chemical_fo...
LiMgSb2
P4/mmm
123
tetragonal
4/mmm
4,907.870502
false
[CIF] data_CrCdSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68906873 _cell_length_b 5.68906873 _cell_length_c 5.68906873 _cell_angle_alpha 135.25703152 _cell_angle_beta 135.25703152 _cell_angle_gamma 65.13109191 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdSn2 _chemical_...
CdCrSn2
I-4m2
119
tetragonal
-42m
7,420.474762
false
[CIF] data_VCrTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49306845 _cell_length_b 4.49306845 _cell_length_c 4.49306845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrTcPb _chemical_fo...
CrPbTcV
F-43m
216
cubic
-43m
10,590.215668
false
[CIF] data_Ti2CuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25669087 _cell_length_b 3.25669087 _cell_length_c 5.79859614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CuMo _chemical_fo...
CuMoTi2
P4mm
99
tetragonal
4mm
6,891.62913
false
[CIF] data_ReSnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62907275 _cell_length_b 4.62907275 _cell_length_c 3.14428015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnBr _chemical_for...
BrReSn
P-6m2
187
hexagonal
-6m2
10,951.358146
false
[CIF] data_KZrRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25932883 _cell_length_b 4.25932883 _cell_length_c 7.86626319 _cell_angle_alpha 104.73499372 _cell_angle_beta 104.73499372 _cell_angle_gamma 59.11321870 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrRu2 _chemical_fo...
KRu2Zr
Cm
8
monoclinic
m
4,713.76643
false
[CIF] data_AlC3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70310523 _cell_length_b 3.70310523 _cell_length_c 3.70310523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlC3F _chemical_formul...
C3AlF
Pm-3m
221
cubic
m-3m
2,681.813431
false
[CIF] data_CaMgGeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21537482 _cell_length_b 5.21537482 _cell_length_c 5.21537482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgGeTe _chemical_...
CaGeMgTe
F-43m
216
cubic
-43m
4,380.615212
false
[CIF] data_TbSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20167620 _cell_length_b 4.20167620 _cell_length_c 4.20167620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbSbO3 _chemical_form...
O3SbTb
Pm-3m
221
cubic
m-3m
7,357.992201
false
[CIF] data_Hf5Zr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68186840 _cell_length_b 8.68186840 _cell_length_c 6.22974034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Zr4 _chemical_for...
Hf10Zr8
P6_3/mcm
193
hexagonal
6/mmm
10,268.498013
false
[CIF] data_Co2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66542698 _cell_length_b 3.63246115 _cell_length_c 5.30171477 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.11838252 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2RhW _chemical_form...
Co2RhW
P2/m
10
monoclinic
2/m
13,091.407808
false
[CIF] data_LiTlAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14998677 _cell_length_b 5.14998677 _cell_length_c 5.14998677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlAgPb _chemical_...
AgLiPbTl
F-43m
216
cubic
-43m
9,050.143123
false
[CIF] data_ZrTaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72960894 _cell_length_b 5.72960894 _cell_length_c 5.72960894 _cell_angle_alpha 147.70143902 _cell_angle_beta 147.70143902 _cell_angle_gamma 46.32629791 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaCu _chemical_fo...
CuTaZr
I4mm
107
tetragonal
4mm
10,417.410393
false
[CIF] data_SnSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40796106 _cell_length_b 8.40796106 _cell_length_c 8.40796106 _cell_angle_alpha 29.48521582 _cell_angle_beta 29.48521582 _cell_angle_gamma 29.48521582 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbTe2 _chemical_fo...
SbSnTe2
R-3m
166
trigonal
-3m
6,457.883236
false
[CIF] data_Zr2ReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74692597 _cell_length_b 5.74692597 _cell_length_c 5.74692597 _cell_angle_alpha 144.93493130 _cell_angle_beta 131.81632613 _cell_angle_gamma 60.97147532 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReHg _chemical_...
HgReZr2
Imm2
44
orthorhombic
mm2
11,749.52961
false
[CIF] data_FeCuSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57794451 _cell_length_b 4.31686467 _cell_length_c 4.74766395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuSb2 _chemical_fo...
CuFeSb2
Pmmm
47
orthorhombic
mmm
8,218.020561
false
[CIF] data_LaTaMnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63581838 _cell_length_b 4.63581838 _cell_length_c 4.63581838 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaMnPt _chemical_...
LaMnPtTa
F-43m
216
cubic
-43m
13,432.744788
false
[CIF] data_HfZrGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73439081 _cell_length_b 4.73439081 _cell_length_c 4.73439081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrGaCu _chemical_...
CuGaHfZr
F-43m
216
cubic
-43m
8,917.815955
false
[CIF] data_ScBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43865578 _cell_length_b 3.43865578 _cell_length_c 7.39165698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiAu2 _chemical_fo...
Au2BiSc
P4/mmm
123
tetragonal
4/mmm
12,308.847377
false
[CIF] data_CoOsPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41116381 _cell_length_b 4.41116381 _cell_length_c 4.41116381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoOsPtAu _chemical_...
AuCoOsPt
F-43m
216
cubic
-43m
17,543.141868
false
[CIF] data_CaTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80797056 _cell_length_b 4.80797056 _cell_length_c 4.80797056 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTeW2 _chemical_form...
CaTeW2
F-43m
216
cubic
-43m
11,311.572715
false
[CIF] data_Al2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.42790027 _cell_length_b 10.42790027 _cell_length_c 10.42790027 _cell_angle_alpha 17.52206857 _cell_angle_beta 17.52206857 _cell_angle_gamma 17.52206857 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdTe _chemical...
Al2CdTe
R-3m
166
trigonal
-3m
5,441.540045
false
[CIF] data_RbOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62509540 _cell_length_b 4.62509540 _cell_length_c 4.62509540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbOsW2 _chemical_form...
OsRbW2
Fm-3m
225
cubic
m-3m
15,271.021277
false
[CIF] data_CdB2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84720924 _cell_length_b 2.84720924 _cell_length_c 6.12491483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdB2Mo _chemical_form...
B2CdMo
P4mm
99
tetragonal
4mm
7,691.745264
false
[CIF] data_BaPbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97600462 _cell_length_b 4.97600462 _cell_length_c 4.97600462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPbW2 _chemical_form...
BaPbW2
Fm-3m
225
cubic
m-3m
13,574.630234
false
[CIF] data_ScRe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05643990 _cell_length_b 3.05643990 _cell_length_c 8.01652466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe2Sn _chemical_fo...
Re2ScSn
P4mm
99
tetragonal
4mm
11,886.685637
false
[CIF] data_Cr3TeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88330249 _cell_length_b 4.88330249 _cell_length_c 4.88330249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3TeAs _chemical_fo...
AsCr3Te
Pm-3m
221
cubic
m-3m
5,112.218052
false
[CIF] data_Be2CrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12391954 _cell_length_b 3.12391954 _cell_length_c 3.28526900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CrB _chemical_form...
BBe2Cr
P4/mmm
123
tetragonal
4/mmm
4,186.582458
false
[CIF] data_Sc2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64565955 _cell_length_b 4.64565955 _cell_length_c 4.64565955 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BBr _chemical_form...
BBrSc2
F-43m
216
cubic
-43m
4,230.621784
false
[CIF] data_MnSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45170063 _cell_length_b 4.45170063 _cell_length_c 4.45170063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSnP2 _chemical_form...
MnP2Sn
Fm-3m
225
cubic
m-3m
6,271.239137
false
[CIF] data_BeMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71867537 _cell_length_b 2.71867537 _cell_length_c 8.04793342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.27024774 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMo2W _chemical_for...
BeMo2W
Cmm2
35
orthorhombic
mm2
11,189.344895
false
[CIF] data_Tc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95510450 _cell_length_b 5.95510450 _cell_length_c 5.95510450 _cell_angle_alpha 151.00403193 _cell_angle_beta 151.00403193 _cell_angle_gamma 41.46956071 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2Sn _chemical_form...
SnTc2
I4/mmm
139
tetragonal
4/mmm
10,615.151427
false
[CIF] data_Ba(ZnGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25322890 _cell_length_b 6.25322890 _cell_length_c 6.25322890 _cell_angle_alpha 137.03950805 _cell_angle_beta 137.03950805 _cell_angle_gamma 62.37726833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(ZnGe)2 _chemi...
BaGe2Zn2
I4/mmm
139
tetragonal
4/mmm
6,118.126096
false
[CIF] data_CdPdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98553070 _cell_length_b 4.98553070 _cell_length_c 4.56418646 _cell_angle_alpha 113.24047416 _cell_angle_beta 113.24047416 _cell_angle_gamma 96.48974021 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPdCl2 _chemical_...
CdCl2Pd
C2/m
12
monoclinic
2/m
5,298.648749
false
[CIF] data_K2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94604810 _cell_length_b 3.94604810 _cell_length_c 9.87819511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2InAg _chemical_form...
AgInK2
P4mm
99
tetragonal
4mm
3,248.210082
false
[CIF] data_MgCrMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14980111 _cell_length_b 5.14980111 _cell_length_c 2.60726617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.27975633 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrMo2 _chemical_f...
CrMgMo2
Cmmm
65
orthorhombic
mmm
7,247.393768
false
[CIF] data_CaLaZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14243384 _cell_length_b 5.14243384 _cell_length_c 5.14243384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaZrRe _chemical_...
CaLaReZr
F-43m
216
cubic
-43m
7,881.653916
false
[CIF] data_CaP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13185701 _cell_length_b 4.13185701 _cell_length_c 4.13185701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaP3 _chemical_formula_...
CaP3
Pm-3m
221
cubic
m-3m
3,130.852128
false
[CIF] data_NaCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67540924 _cell_length_b 4.67540924 _cell_length_c 4.67540924 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdCu _chemical_form...
CdCuNa
F-43m
216
cubic
-43m
4,571.324943
false
[CIF] data_Sr4CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90802101 _cell_length_b 6.90802101 _cell_length_c 6.90802101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4CdTc _chemical_fo...
CdSr4Tc
F-43m
216
cubic
-43m
4,002.051901
false
[CIF] data_Zr2ReSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70245396 _cell_length_b 4.70245396 _cell_length_c 4.70245396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReSe _chemical_fo...
ReSeZr2
F-43m
216
cubic
-43m
10,108.694489
false
[CIF] data_GaBRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66040106 _cell_length_b 3.66040106 _cell_length_c 3.27594753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBRh _chemical_formu...
BGaRh
P-6m2
187
hexagonal
-6m2
8,013.404049
false
[CIF] data_Li2SnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02689077 _cell_length_b 5.02689077 _cell_length_c 5.02689077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SnTe _chemical_fo...
Li2SnTe
Fm-3m
225
cubic
m-3m
4,810.161853
false
[CIF] data_Mg2GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02982877 _cell_length_b 3.74026700 _cell_length_c 6.05752801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GaPt _chemical_fo...
GaMg2Pt
Pmmm
47
orthorhombic
mmm
7,581.506734
false
[CIF] data_Ta2OsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05822067 _cell_length_b 3.05822067 _cell_length_c 8.17237018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2OsPb _chemical_fo...
OsPbTa2
P4/mmm
123
tetragonal
4/mmm
16,496.490524
false
[CIF] data_BaHfW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87831534 _cell_length_b 4.87831534 _cell_length_c 4.87831534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfW _chemical_formul...
BaHfW
F-43m
216
cubic
-43m
10,107.09761
false
[CIF] data_AlB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13184343 _cell_length_b 4.13184343 _cell_length_c 4.13184343 _cell_angle_alpha 127.52259284 _cell_angle_beta 127.52259284 _cell_angle_gamma 77.39969523 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlB2Pd _chemical_fo...
AlB2Pd
I4/mmm
139
tetragonal
4/mmm
5,980.751487
false
[CIF] data_YNbCrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77584918 _cell_length_b 4.77584918 _cell_length_c 4.77584918 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCrSn _chemical_fo...
CrNbSnY
F-43m
216
cubic
-43m
7,599.656965
false
[CIF] data_TeWCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17712459 _cell_length_b 7.17712459 _cell_length_c 7.17712459 _cell_angle_alpha 154.30970553 _cell_angle_beta 154.30970553 _cell_angle_gamma 36.64960938 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeWCl _chemical_form...
ClTeW
I4mm
107
tetragonal
4mm
8,302.137203
false
[CIF] data_HfGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20318374 _cell_length_b 3.20318374 _cell_length_c 6.49438435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGa2Os _chemical_fo...
Ga2HfOs
P4mm
99
tetragonal
4mm
12,663.504242
false
[CIF] data_LaAl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59351308 _cell_length_b 4.59351308 _cell_length_c 4.48145875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAl2Hg _chemical_fo...
Al2HgLa
P4/mmm
123
tetragonal
4/mmm
6,909.374988
false
[CIF] data_YTi2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08958679 _cell_length_b 3.08958679 _cell_length_c 8.31777929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Ga _chemical_form...
GaTi2Y
P4/mmm
123
tetragonal
4/mmm
5,319.791221
false
[CIF] data_TiBe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03544804 _cell_length_b 4.03544804 _cell_length_c 2.91423198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.91465207 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe2Ir _chemical_fo...
Be2IrTi
Cmmm
65
orthorhombic
mmm
9,141.587895
false