ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1188175 | mp-1188175 | Gd2Se3 | # generated using pymatgen
data_Gd2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09112400
_cell_length_b 11.08752500
_cell_length_c 11.25749600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Gd2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09112400
_cell_length_b 11.08752500
_cell_length_c 11.25749600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0227809999999997,
2.0722584225,
5.512638186256
],
[
1.0227809999999997,
3.4715040774999997,
11.141386186256
],
[
3.068342999999999,
9.0152665775,
5.744857813744001
],
[
3.068342999999999,
7.616020922499999,
0.11610981374400066
],
[
3.0683429999... | [
[
4.091124,
0,
2.505090955757458e-16
],
[
-6.789151000858129e-16,
11.087525,
6.789151000858129e-16
],
[
0,
0,
11.257496
]
] | [
64,
64,
64,
64,
64,
64,
64,
64,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -2.176607 | 0.6178 | 0 | 62 | 62 | [
"Gd",
"Se"
] |
mp-1113545 | mp-1113545 | Rb2HgAsI6 | # generated using pymatgen
data_Rb2HgAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2HgAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.01104800
_cell_length_b 12.01104800
_cell_length_c 12.01104800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.4517449063520784,
1.7336454490211324,
4.246546744999999
],
[
7.355234719056235,
5.200936347063395,
12.739640235
],
[
4.903489812704157,
3.4672908980422643,
8.49309349
],
[
0,
0,
0
],
[
3.63301521619176,
5.26401330308058,
6.2925669391149... | [
[
7.355234719056236,
0,
4.246546745000001
],
[
2.451744906352077,
6.934581796084527,
4.246546745
],
[
0,
0,
8.493093489999998
]
] | [
37,
37,
80,
33,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.937597 | 0 | 0.039062 | 225 | 225 | [
"As",
"Hg",
"I",
"Rb"
] |
mp-1189707 | mp-1189707 | Nd2Zn5Pb | # generated using pymatgen
data_Nd2Zn5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63995760
_cell_length_b 8.63995786
_cell_length_c 9.14684700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.79665418
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nd2Zn5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50198300
_cell_length_b 16.68315400
_cell_length_c 9.14684700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.2509912051372805,
4.9242998334768435,
6.860135250000001
],
[
-2.0441518777195167e-7,
3.4172771663755164,
2.2867117500000003
],
[
0,
0,
4.5734235
],
[
0,
0,
0
],
[
-1.853791888780988e-7,
3.0990460038311496,
5.567557713042
],
[
2.... | [
[
4.5019829993995435,
0,
1.2753079899824017e-15
],
[
-2.25099199867745,
8.341576999852359,
5.290448369008508e-16
],
[
0,
0,
9.146847
]
] | [
60,
60,
60,
60,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
82,
82
] | [
1,
1,
1
] | -0.387073 | 0 | 0 | 63 | 63 | [
"Nd",
"Pb",
"Zn"
] |
mp-11610 | mp-11610 | PrCo4B | # generated using pymatgen
data_PrCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12162444
_cell_length_b 5.12162444
_cell_length_c 6.83648100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000568
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12162444
_cell_length_b 5.12162444
_cell_length_c 6.83648100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.4182405
],
[
0,
0,
0
],
[
1.2804060000730755,
2.2177285003079605,
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],
[
4.440892098500626e-16,
4.435457000615921,
4.8553029886050005
],
[
3.841218000219225,
2.21772850030796,
4.855302988605001
],
[
1.2804... | [
[
5.121624000292301,
0,
1.450837999639174e-15
],
[
-2.56081200014615,
4.435457000615921,
3.1360904884404273e-16
],
[
0,
0,
6.836481
]
] | [
59,
59,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5
] | [
1,
1,
1
] | -0.193273 | 0 | 0.028213 | 191 | 191 | [
"B",
"Co",
"Pr"
] |
mp-35714 | mp-35714 | La5TlS8 | # generated using pymatgen
data_La5TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64522783
_cell_length_b 7.64522783
_cell_length_c 7.64522783
_cell_angle_alpha 109.04459242
_cell_angle_beta 109.04459242
_cell_angle_gamma 110.32788844
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_La5TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.87436800
_cell_length_b 8.87436800
_cell_length_c 8.73437000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.125812364369469,
2.3575466804371428,
3.887862532298066
],
[
-0.946435186869011,
4.6687790724753295,
1.327945964759548
],
[
-0.016964424564932794,
1.47360985116477,
3.8205452975012917
],
[
0.3575932311701868,
5.491137818301134,
-2.5333141396919645
],
... | [
[
7.226765556106299,
0,
-2.494667951037622
],
[
-3.6708354345274476,
6.225038763300439,
-2.4946679499747306
],
[
0,
0,
7.64522783
]
] | [
57,
57,
57,
57,
57,
81,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.27087 | 1.4126 | 0.011026 | 82 | 82 | [
"La",
"S",
"Tl"
] |
mp-1214726 | mp-1214726 | Ba2FeBrO3 | # generated using pymatgen
data_Ba2FeBrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13905500
_cell_length_b 4.13905500
_cell_length_c 15.97557800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba2FeBrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13905500
_cell_length_b 4.13905500
_cell_length_c 15.97557800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.267220114311212e-16,
2.0695275,
10.653282238144
],
[
2.0695275,
0,
1.500953479834
],
[
2.0695275,
0,
5.322295761856
],
[
-1.267220114311212e-16,
2.0695275,
14.474624520166001
],
[
-1.267220114311212e-16,
2.0695275,
3.17266991291
],
... | [
[
4.139055,
0,
2.534440228622424e-16
],
[
-2.534440228622424e-16,
4.139055,
2.534440228622424e-16
],
[
0,
0,
15.975578
]
] | [
56,
56,
56,
56,
26,
26,
35,
35,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.467501 | 1.4753 | 0.030991 | 129 | 129 | [
"Ba",
"Br",
"Fe",
"O"
] |
mp-1218384 | mp-1218384 | Sr2ZnP2 | # generated using pymatgen
data_Sr2ZnP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24814433
_cell_length_b 4.24814433
_cell_length_c 8.40373800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000509
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2ZnP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24814433
_cell_length_b 4.24814433
_cell_length_c 8.40373800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
2.49015362547
],
[
0,
0,
5.91358437453
],
[
-4.532723827080417e-16,
2.4526673353807964,
8.403738
],
[
-4.532723827080417e-16,
2.4526673353807964,
4.201869000000001
],
[
2.1240720015838184,
1.2263336676903982,
8.403738000000002
]
] | [
[
4.248144003167638,
0,
1.2034012546378126e-15
],
[
-2.12407200158382,
3.679001003071194,
2.6012381780252385e-16
],
[
0,
0,
8.403738
]
] | [
38,
38,
30,
15,
15
] | [
1,
1,
1
] | -0.793431 | 0 | 0.072741 | 187 | 187 | [
"P",
"Sr",
"Zn"
] |
mp-5443 | mp-5443 | Nb2SnC | # generated using pymatgen
data_Nb2SnC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28130793
_cell_length_b 3.28130793
_cell_length_c 13.87134500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999850
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nb2SnC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28130793
_cell_length_b 3.28130793
_cell_length_c 13.87134500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.640654002197714,
0.9472320011810733,
12.724351224640001
],
[
1.640654002197714,
0.9472320011810733,
8.082666275360001
],
[
-3.035819747805524e-16,
1.8944640023621473,
5.788678724640002
],
[
-3.035819747805524e-16,
1.8944640023621473,
1.1469937753600017... | [
[
3.2813080043954277,
0,
9.295189067032982e-16
],
[
-1.640654002197714,
2.84169600354322,
2.0092216267456636e-16
],
[
0,
0,
13.871345
]
] | [
41,
41,
41,
41,
50,
50,
6,
6
] | [
1,
1,
1
] | -0.413028 | 0 | 0 | 194 | 194 | [
"Nb",
"Sn",
"C"
] |
mp-1189286 | mp-1189286 | Cr3C | # generated using pymatgen
data_Cr3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52527000
_cell_length_b 5.18603800
_cell_length_c 6.65882100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | # generated using pymatgen
data_Cr3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52527000
_cell_length_b 5.18603800
_cell_length_c 6.65882100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | [
[
1.5490949516699997,
3.516144136076,
0.3971187667980003
],
[
0.71354004833,
0.923125136076,
2.9322917332019998
],
[
2.97617504833,
1.669893863924,
3.726529266798
],
[
3.8117299516699994,
4.262912863924,
6.2617022332020005
],
[
2.97617504833,
1... | [
[
4.52527,
0,
2.7709287103887716e-16
],
[
-3.1755324184782706e-16,
5.186038,
3.1755324184782706e-16
],
[
0,
0,
6.658821
]
] | [
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.071821 | 0 | 0.012876 | 62 | 62 | [
"C",
"Cr"
] |
mp-1105374 | mp-1105374 | RbYMnWO6 | # generated using pymatgen
data_RbYMnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42952397
_cell_length_b 5.62181900
_cell_length_c 9.80023432
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.03108023
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbYMnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42952397
_cell_length_b 5.62181900
_cell_length_c 9.80023432
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.03108023
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2606091167544324,
4.37765423711,
0.05291921883045988
],
[
4.1613189387222205,
1.56674473711,
9.460214592567205
],
[
1.4631669269789849,
4.650767825949,
4.833322185056866
],
[
3.9587611284976676,
1.839858325949,
4.679811626340799
],
[
4.03779115... | [
[
5.421928055476653,
0,
-0.28710050860233627
],
[
-3.442371321867887e-16,
5.621819,
3.442371321867887e-16
],
[
0,
0,
9.80023432
]
] | [
37,
37,
39,
39,
25,
25,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.641849 | 2.6968 | 0.020324 | 4 | 4 | [
"Mn",
"O",
"Rb",
"W",
"Y"
] |
mp-1225249 | mp-1225249 | EuAl3Si | # generated using pymatgen
data_EuAl3Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23929885
_cell_length_b 6.23929885
_cell_length_c 6.23929885
_cell_angle_alpha 139.24424591
_cell_angle_beta 139.24424591
_cell_angle_gamma 59.00262184
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_EuAl3Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34517400
_cell_length_b 4.34517400
_cell_length_c 10.86067799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.506196612589788,
4.028516177130688,
3.1997335227324664
],
[
2.9198850199766304,
1.0148466164225385,
1.6213240057388605
],
[
0.6022524888341186,
3.0319851788550363,
1.6213240058559077
],
[
2.159984415518996,
2.48175819034895,
-0.424404514219419
],
[... | [
[
4.073237841821054,
0,
-1.5130335569121174
],
[
-0.5620272204639689,
4.034277124864995,
-1.5130335566780229
],
[
0,
0,
6.239298850000001
]
] | [
63,
13,
13,
13,
14
] | [
1,
1,
1
] | -0.271423 | 0 | 0.028564 | 107 | 107 | [
"Al",
"Eu",
"Si"
] |
mp-1104024 | mp-1104024 | Cs2GeSe4 | # generated using pymatgen
data_Cs2GeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74400286
_cell_length_b 8.74400286
_cell_length_c 10.38640040
_cell_angle_alpha 62.07197558
_cell_angle_beta 62.07197558
_cell_angle_gamma 53.28032071
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2GeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.63148199
_cell_length_b 7.84137200
_cell_length_c 10.38640040
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.60017862
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.860362297110389,
7.30273832226332,
10.90786419092268
],
[
6.155693861292963,
0.24604504507502614,
5.545686852405559
],
[
3.856308604539323,
2.456147644230879,
10.91733411621848
],
[
6.15974755386403,
5.092635723107469,
5.536216927109762
],
[
2.... | [
[
7.208693282003421,
0,
3.085750467042388
],
[
2.807362876399931,
7.548783367338346,
3.4047275028841355
],
[
0,
0,
9.963073073401718
]
] | [
55,
55,
55,
55,
32,
32,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.052552 | 1.7061 | 0 | 12 | 12 | [
"Cs",
"Ge",
"Se"
] |
mp-7914 | mp-7914 | NaScO2 | # generated using pymatgen
data_NaScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77814373
_cell_length_b 5.77814373
_cell_length_c 5.77814340
_cell_angle_alpha 31.99765183
_cell_angle_beta 31.99765183
_cell_angle_gamma 31.99764273
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18511640
_cell_length_b 3.18511640
_cell_length_c 16.43312482
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2333853490720057,
1.360167232694881,
3.766945825774927
],
[
0,
0,
0
],
[
3.2803606665513767,
1.9977918687065173,
5.8935708065138
],
[
1.1864100315926345,
0.7225425966832438,
1.6403208450360538
]
] | [
[
3.061748847411227,
0,
0.8778741257749269
],
[
1.405021850732784,
2.7203344653897616,
0.8778741257749269
],
[
0,
0,
5.7781434
]
] | [
11,
21,
8,
8
] | [
1,
1,
1
] | -3.195561 | 3.9929 | 0 | 166 | 166 | [
"Na",
"Sc",
"O"
] |
mp-27636 | mp-27636 | Cs2SnI6 | # generated using pymatgen
data_Cs2SnI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53159687
_cell_length_b 8.53159687
_cell_length_c 8.53159687
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2SnI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.06550000
_cell_length_b 12.06550000
_cell_length_c 12.06550000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
7.388579624267803,
5.224514755656518,
12.797395304999998
],
[
2.4628598747559343,
1.741504918552174,
4.265798435000002
],
[
0,
0,
0
],
[
6.200284214736312,
1.6805034842651276,
10.739207281290591
],
[
6.200284214736312,
1.6805034842651276,
... | [
[
7.388579624267803,
0,
4.265798434999999
],
[
2.462859874755933,
6.96601967420869,
4.265798434999999
],
[
0,
0,
8.53159687
]
] | [
55,
55,
50,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.165996 | 0.3808 | 0 | 225 | 225 | [
"Cs",
"Sn",
"I"
] |
mp-862815 | mp-862815 | LiScAu2 | # generated using pymatgen
data_LiScAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66220674
_cell_length_b 4.66220674
_cell_length_c 4.66220674
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiScAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59335600
_cell_length_b 6.59335600
_cell_length_c 6.59335600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6917263163566876,
1.9033379313940995,
4.66220674
],
[
0,
0,
0
],
[
1.3458631581783433,
0.9516689656970487,
2.3311033699999997
],
[
4.037589474535031,
2.8550068970911497,
6.993310110000001
]
] | [
[
4.037589474535031,
0,
2.3311033700000006
],
[
1.345863158178344,
3.8066758627882,
2.3311033700000006
],
[
0,
0,
4.66220674
]
] | [
3,
21,
79,
79
] | [
1,
1,
1
] | -0.695656 | 0 | 0 | 225 | 225 | [
"Li",
"Sc",
"Au"
] |
mp-1226293 | mp-1226293 | Cr4InAgS8 | # generated using pymatgen
data_Cr4InAgS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27502993
_cell_length_b 7.27502993
_cell_length_c 7.27503064
_cell_angle_alpha 59.99999678
_cell_angle_beta 60.00000322
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cr4InAgS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.28844633
_cell_length_b 10.28844633
_cell_length_c 10.28844633
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.200240134575123,
5.127891936906568,
7.275029318666265
],
[
3.1830092906723033,
2.250727783500751,
5.513133813107057
],
[
3.183009290672305,
2.250727783500751,
9.036925510241298
],
[
6.234702418035237,
2.2507277835007518,
7.275029661674178
],
[
... | [
[
6.300360732672126,
0,
3.6375149650000007
],
[
2.100119834305358,
5.940037643704409,
3.637514256844399
],
[
0,
0,
7.275029929999999
]
] | [
24,
24,
24,
24,
49,
47,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.937997 | 0 | 0 | 216 | 216 | [
"Ag",
"Cr",
"In",
"S"
] |
mp-1189484 | mp-1189484 | Eu3Ge5 | # generated using pymatgen
data_Eu3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27268956
_cell_length_b 6.27268956
_cell_length_c 9.80879200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.65290384
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92455800
_cell_length_b 9.72563200
_cell_length_c 9.80879200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.723718786944889,
1.2621193903443295,
4.904396
],
[
4.723718786944889,
1.2621193903443295,
9.808792
],
[
0.2819983681543283,
4.881284815904263,
4.904396
],
[
0.2819983681543283,
4.881284815904263,
3.84091459584951e-16
],
[
3.2674568444052383,
... | [
[
6.272689560000001,
0,
3.84091459584951e-16
],
[
-1.2669724049007836,
6.1434042062485945,
3.8409145958495097e-16
],
[
0,
0,
9.808792
]
] | [
63,
63,
63,
63,
63,
63,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.602139 | 0 | 0 | 63 | 63 | [
"Eu",
"Ge"
] |
mp-1214655 | mp-1214655 | Ba2La2Ti2Cu2O11 | # generated using pymatgen
data_Ba2La2Ti2Cu2O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96097300
_cell_length_b 3.96097300
_cell_length_c 16.02402300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Ba2La2Ti2Cu2O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96097300
_cell_length_b 3.96097300
_cell_length_c 16.02402300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
1.9804864999999998,
1.9804865,
4.256701589835001
],
[
1.9804864999999998,
1.9804865,
11.767321410165
],
[
1.9804864999999998,
1.9804865,
8.0120115
],
[
1.9804864999999998,
1.9804865,
2.4253964529795445e-16
],
[
0,
0,
2.0340093595049997
... | [
[
3.960973,
0,
2.4253964529795445e-16
],
[
-2.4253964529795445e-16,
3.960973,
2.4253964529795445e-16
],
[
0,
0,
16.024023
]
] | [
56,
56,
57,
57,
22,
22,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.058661 | 0 | 0.015037 | 123 | 123 | [
"Ba",
"Cu",
"La",
"O",
"Ti"
] |
mp-1185044 | mp-1185044 | LaPr3 | # generated using pymatgen
data_LaPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29284200
_cell_length_b 5.29284200
_cell_length_c 5.29284200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LaPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29284200
_cell_length_b 5.29284200
_cell_length_c 5.29284200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
0,
0,
0
],
[
-1.620465503423169e-16,
2.646421,
2.646421
],
[
2.646421,
0,
2.646421
],
[
2.646421,
2.646421,
3.240931006846338e-16
]
] | [
[
5.292842,
0,
3.240931006846338e-16
],
[
-3.240931006846338e-16,
5.292842,
3.240931006846338e-16
],
[
0,
0,
5.292842
]
] | [
57,
59,
59,
59
] | [
1,
1,
1
] | 0.016252 | 0 | 0.016252 | 221 | 221 | [
"La",
"Pr"
] |
mp-8580 | mp-8580 | Ca(PRh)2 | # generated using pymatgen
data_Ca(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63740658
_cell_length_b 5.63740658
_cell_length_c 5.63740658
_cell_angle_alpha 137.78392833
_cell_angle_beta 137.78392833
_cell_angle_gamma 61.23408393
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ca(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06037200
_cell_length_b 4.06037200
_cell_length_c 9.70299800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9867773043475077,
2.308620788715925,
-0.49070217364590213
],
[
1.2366842480319198,
1.4370181085905118,
3.2036042764767307
],
[
2.699832070634522,
0.9364097243266091,
1.3564510515806996
],
[
0.5236294817449056,
2.809229172979827... | [
[
3.787933365079329,
0,
-1.462252238254015
],
[
-0.5644718126999022,
3.7456388973064367,
-1.4622522389151582
],
[
0,
0,
5.637406580000001
]
] | [
20,
15,
15,
45,
45
] | [
1,
1,
1
] | -0.959898 | 0 | 0 | 139 | 139 | [
"Ca",
"P",
"Rh"
] |
mp-1187958 | mp-1187958 | Yb2ZnSn | # generated using pymatgen
data_Yb2ZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29169582
_cell_length_b 5.29169582
_cell_length_c 5.29169582
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Yb2ZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48358800
_cell_length_b 7.48358800
_cell_length_c 7.48358800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.582743009219926,
3.2404886582546553,
7.93754373
],
[
1.5275810030733088,
1.080162886084885,
2.6458479100000005
],
[
0,
0,
0
],
[
3.0551620061466176,
2.16032577216977,
5.291695819999999
]
] | [
[
4.582743009219927,
0,
2.6458479099999996
],
[
1.5275810030733081,
4.32065154433954,
2.6458479099999996
],
[
0,
0,
5.29169582
]
] | [
70,
70,
30,
50
] | [
1,
1,
1
] | -0.570634 | 0.0072 | 0 | 225 | 225 | [
"Sn",
"Yb",
"Zn"
] |
mp-1178360 | mp-1178360 | DyInO3 | # generated using pymatgen
data_DyInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52177700
_cell_length_b 5.86660700
_cell_length_c 8.19148600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52177700
_cell_length_b 5.86660700
_cell_length_c 8.19148600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.11678006177299968,
5.485365544105,
6.1436145
],
[
2.644108438227,
2.552062044105,
6.1436145
],
[
2.877668561773,
3.3145449558949998,
2.0478715000000003
],
[
5.404996938227001,
0.381241455895,
2.0478715000000003
],
[
-1.796130371101364e-16,
... | [
[
5.521777,
0,
3.3811132643277374e-16
],
[
-3.592260742202728e-16,
5.866607,
3.592260742202728e-16
],
[
0,
0,
8.191486
]
] | [
66,
66,
66,
66,
49,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.939339 | 2.623 | 0.064033 | 62 | 62 | [
"Dy",
"In",
"O"
] |
mp-30235 | mp-30235 | Lu3Ge3Ir2 | # generated using pymatgen
data_Lu3Ge3Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56828057
_cell_length_b 5.56828057
_cell_length_c 14.11160000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.74875200
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Lu3Ge3Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28432600
_cell_length_b 10.27947201
_cell_length_c 14.11160000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.1421630014728796,
0.8663230622632034,
8.612182475600001
],
[
2.1421630014728796,
0.8663230622632034,
12.5552175244
],
[
6.152598998715381e-17,
1.4714036229618386,
3.5279000000000003
],
[
2.142165143635883,
3.6683272403824945,
10.5837
],
[
4.854... | [
[
4.28432600294576,
0,
1.2136507809946948e-15
],
[
-2.142163001472879,
5.139736003080336,
3.40958848840245e-16
],
[
0,
0,
14.1116
]
] | [
71,
71,
71,
71,
71,
71,
32,
32,
32,
32,
32,
32,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.928108 | 0 | 0 | 63 | 63 | [
"Ge",
"Ir",
"Lu"
] |
mp-1189806 | mp-1189806 | Yb2CuGe6 | # generated using pymatgen
data_Yb2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78522925
_cell_length_b 5.78522925
_cell_length_c 10.96732428
_cell_angle_alpha 82.76947434
_cell_angle_beta 82.76947434
_cell_angle_gamma 91.52938489
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Yb2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07163000
_cell_length_b 8.29001200
_cell_length_c 10.96732428
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.39418927
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.7811195327423586,
0.9496365173290041,
6.670533492032471
],
[
0.7853467329895264,
3.818626054605665,
6.670533492032471
],
[
1.710081452508774,
4.784225644192345,
2.840512193773637
],
[
4.705854252261606,
1.9152361069156845,
2.840512193773637
],
[
... | [
[
5.739223870792873,
0,
-0.7281392970969458
],
[
-0.248022885541741,
5.733862161521349,
-0.7281392970969458
],
[
0,
0,
10.96732428
]
] | [
70,
70,
70,
70,
29,
29,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.385407 | 0 | 0 | 12 | 12 | [
"Cu",
"Ge",
"Yb"
] |
mp-1185749 | mp-1185749 | Mg2AgPd | # generated using pymatgen
data_Mg2AgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60779629
_cell_length_b 4.60779629
_cell_length_c 4.60779629
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg2AgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51640801
_cell_length_b 6.51640801
_cell_length_c 6.51640801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.6603124284024586,
1.881124958198231,
4.60779629
],
[
3.990468642603688,
2.8216874372973457,
6.9116944349999985
],
[
1.330156214201229,
0.9405624790991148,
2.3038981449999993
]
] | [
[
3.9904686426036884,
0,
2.3038981449999993
],
[
1.3301562142012286,
3.762249916396461,
2.3038981449999993
],
[
0,
0,
4.60779629
]
] | [
12,
12,
47,
46
] | [
1,
1,
1
] | -0.489765 | 0 | 0.008509 | 225 | 225 | [
"Ag",
"Mg",
"Pd"
] |
mp-571352 | mp-571352 | TmB6 | # generated using pymatgen
data_TmB6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08077000
_cell_length_b 4.08077000
_cell_length_c 4.08077000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm... | # generated using pymatgen
data_TmB6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08077000
_cell_length_b 4.08077000
_cell_length_c 4.08077000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm... | [
[
0,
0,
0
],
[
0.8100818142399999,
2.040385,
2.040385
],
[
2.040385,
3.27068818576,
2.0403850000000006
],
[
2.040385,
0.81008181424,
2.040385
],
[
3.27068818576,
2.040385,
2.0403850000000006
],
[
2.040385,
2.040385,
0.810081... | [
[
4.08077,
0,
2.4987509592782726e-16
],
[
-2.4987509592782726e-16,
4.08077,
2.4987509592782726e-16
],
[
0,
0,
4.08077
]
] | [
69,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.347129 | 0 | 0.079318 | 221 | 221 | [
"Tm",
"B"
] |
mp-850212 | mp-850212 | Na3Mn5O12 | # generated using pymatgen
data_Na3Mn5O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.64518700
_cell_length_b 5.05814000
_cell_length_c 5.85713311
_cell_angle_alpha 71.79346302
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na3Mn5O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05814000
_cell_length_b 8.64518700
_cell_length_c 5.85713311
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.20653698
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-0.9150110002466779,
2.781952001112194,
6.9690149185050005
],
[
-0.9150110002466779,
2.781952001112194,
1.6761720814949999
],
[
1.614058999753322,
2.781952001112194,
3.341838568995169e-16
],
[
-1.830022000493356,
5.563904002224389,
5.832968185209
],
... | [
[
5.05814,
0,
3.0972174803195964e-16
],
[
-1.830022000493356,
5.563904002224389,
3.5864596576707415e-16
],
[
0,
0,
8.645187
]
] | [
11,
11,
11,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.809723 | 0 | 0.072304 | 10 | 10 | [
"Mn",
"Na",
"O"
] |
mp-541772 | mp-541772 | Bi4RuBr2 | # generated using pymatgen
data_Bi4RuBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.89371078
_cell_length_b 8.89371078
_cell_length_c 11.06048907
_cell_angle_alpha 53.03683430
_cell_angle_beta 53.03683430
_cell_angle_gamma 45.50598761
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Bi4RuBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.40321801
_cell_length_b 6.87944800
_cell_length_c 11.06048907
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.69580974
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.9303383875150715,
6.037361672131961,
6.1322368491005586
],
[
4.263699493393109,
2.107718751343622,
7.768746423877923
],
[
3.858248462853153,
4.948372564593699,
8.7640746284465
],
[
5.335789418055029,
3.1967078588818865,
5.136908644531984
],
[
7... | [
[
6.3711228857743505,
0,
2.595303064734917
],
[
2.8229149951338313,
8.145080423475585,
2.1879001950846604
],
[
0,
0,
9.117780013158907
]
] | [
83,
83,
83,
83,
83,
83,
83,
83,
44,
44,
35,
35,
35,
35
] | [
1,
1,
1
] | -0.469317 | 0.5697 | 0 | 12 | 12 | [
"Bi",
"Br",
"Ru"
] |
mp-20554 | mp-20554 | InAgSe2 | # generated using pymatgen
data_InAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44295036
_cell_length_b 7.44295036
_cell_length_c 7.44295036
_cell_angle_alpha 130.61804541
_cell_angle_beta 130.61804541
_cell_angle_gamma 72.42063158
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_InAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21819800
_cell_length_b 6.21819800
_cell_length_c 12.01074800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2277381091249566,
2.7610177418739923,
4.845459815822673
],
[
0.516760741715657,
4.141526612810988,
1.1239846359164152
],
[
3.938715476534256,
1.3805088709369961,
1.1239846357289323
],
[
0,
0,
0
],
[
4.4905495046071575,
2.0943479199565824,
... | [
[
5.649692843943555,
0,
-2.597490544364809
],
[
-1.1942166256936422,
5.5220354837479855,
-2.597490543989844
],
[
0,
0,
7.44295036
]
] | [
49,
49,
47,
47,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.655706 | 0.3607 | 0 | 122 | 122 | [
"In",
"Ag",
"Se"
] |
mp-1226158 | mp-1226158 | Cs2Zr(WO4)3 | # generated using pymatgen
data_Cs2Zr(WO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45407544
_cell_length_b 7.45407544
_cell_length_c 7.57659656
_cell_angle_alpha 60.57747896
_cell_angle_beta 60.57747896
_cell_angle_gamma 59.98335498
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cs2Zr(WO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.91191999
_cell_length_b 7.45220000
_cell_length_c 7.57659656
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.55483060
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
-0.19093654217402597,
1.452797026644092,
5.727656349151461
],
[
3.535163455367573,
3.8642268782146956,
-1.812845728920737
],
[
3.707849559753637,
0,
6.0203046186846395e-16
],
[
1.8460850654819911,
2.659336091134646,
1.955466369317338
],
[
5.57218... | [
[
7.452199995083194,
0,
4.563156435292277e-16
],
[
-3.726099997541596,
5.317023904858785,
-3.661785939769275
],
[
0,
0,
7.57659656
]
] | [
55,
55,
40,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.557144 | 3.0012 | 0 | 5 | 5 | [
"Cs",
"O",
"W",
"Zr"
] |
mp-571350 | mp-571350 | Ba(AsPd)2 | # generated using pymatgen
data_Ba(AsPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.00802737
_cell_length_b 11.00802737
_cell_length_c 11.00802737
_cell_angle_alpha 156.19323727
_cell_angle_beta 156.19323727
_cell_angle_gamma 33.91933099
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ba(AsPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54107400
_cell_length_b 4.54107400
_cell_length_c 21.05858400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.647427124023079,
2.7677977062021126,
1.5512411938456585
],
[
1.5985583229893794,
1.671239982189489,
7.58348477705607
],
[
3.283209582807075,
1.1097594220979001,
4.567362985573443
],
[
3.9626338541915294,
4.142802947294477,
7.790519469449992
],
[
... | [
[
4.443426442107921,
0,
-0.9366506993039784
],
[
-0.19744099509546215,
4.439037688391601,
-0.9366506997942945
],
[
0,
0,
11.00802737
]
] | [
56,
56,
33,
33,
33,
33,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.78327 | 0 | 0 | 139 | 139 | [
"Ba",
"As",
"Pd"
] |
mp-567818 | mp-567818 | Sm(NiAs)2 | # generated using pymatgen
data_Sm(NiAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78145060
_cell_length_b 5.78145060
_cell_length_c 5.78145060
_cell_angle_alpha 138.74149165
_cell_angle_beta 138.74149165
_cell_angle_gamma 59.76924645
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(NiAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07383600
_cell_length_b 4.07383600
_cell_length_c 10.02538800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.724383691578906,
0.9435346765088719,
1.4554332842343067
],
[
0.5479096764888165,
2.830604029526616,
1.4554332845292226
],
[
1.2091156717943918,
1.394548026018819,
3.211819886175293
],
[
2.063177696273331,
2.3795906800166695,
... | [
[
3.812620699123952,
0,
-1.4352920159131515
],
[
-0.5403273310562284,
3.774138706035488,
-1.4352920153233195
],
[
0,
0,
5.7814506
]
] | [
62,
28,
28,
33,
33
] | [
1,
1,
1
] | -0.791183 | 0 | 0.028454 | 139 | 139 | [
"Sm",
"Ni",
"As"
] |
mp-1215168 | mp-1215168 | ZrVMo | # generated using pymatgen
data_ZrVMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29619739
_cell_length_b 5.29619739
_cell_length_c 5.29619739
_cell_angle_alpha 120.32636222
_cell_angle_beta 119.19718292
_cell_angle_gamma 90.41588137
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrVMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27005000
_cell_length_b 5.36033400
_cell_length_c 7.46272200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0.7672978228277688,
0.5422110778581813,
3.958414015705348
],
[
5.360035479137779,
3.811429283290518,
6.543372964742254
],
[
3.0636666509827744,
2.17682018057435,
5.250893490223801
],
[
2.285741667235439,
1.8385151244329712e-16,
6.607205314494598
],
[... | [
[
4.571483334470879,
0,
2.622015848713111
],
[
1.5558499674946693,
4.3536403611487,
2.583573741596449
],
[
0,
0,
5.296197390138042
]
] | [
40,
40,
23,
23,
42,
42
] | [
1,
1,
1
] | -0.114839 | 0 | 0 | 74 | 74 | [
"Mo",
"V",
"Zr"
] |
mp-1112628 | mp-1112628 | Cs2YInCl6 | # generated using pymatgen
data_Cs2YInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09279327
_cell_length_b 8.09279327
_cell_length_c 8.09279327
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2YInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.44493800
_cell_length_b 11.44493800
_cell_length_c 11.44493800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.3361881864652454,
1.6519345087774782,
4.0463966350000025
],
[
7.008564559395736,
4.955803526332432,
12.139189905
],
[
0,
0,
0
],
[
4.672376372930492,
3.303869017554955,
8.092793270000001
],
[
3.4167967044911163,
5.07952681330183,
5.9180... | [
[
7.008564559395737,
0,
4.046396635000001
],
[
2.3361881864652436,
6.60773803510991,
4.046396635000002
],
[
0,
0,
8.092793269999998
]
] | [
55,
55,
39,
49,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.274387 | 3.5192 | 0.009258 | 225 | 225 | [
"Cl",
"Cs",
"In",
"Y"
] |
mp-1287184 | mp-1287184 | VO | # generated using pymatgen
data_VO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16457923
_cell_length_b 5.26802041
_cell_length_c 5.42603401
_cell_angle_alpha 98.06922822
_cell_angle_beta 73.21622668
_cell_angle_gamma 90.26605233
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO
_... | # generated using pymatgen
data_VO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26802041
_cell_length_b 3.16457923
_cell_length_c 5.47279385
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.08806268
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO
... | [
[
1.4181581135420906,
2.575987525313007,
0.8246960277387524
],
[
0.6072853566069154,
3.939145313023714,
3.498003722828531
],
[
-0.19550468056108972,
5.182054212167364,
0.7375446294894886
],
[
2.2209509830022527,
1.3330838382923063,
3.585156774353188
],
... | [
[
3.0297723179420943,
0,
0.9138059993123172
],
[
-0.19748016076831398,
5.212122949462815,
0.7394693948788844
],
[
0,
0,
5.42603401
]
] | [
23,
23,
23,
23,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.085322 | 1.9785 | 0.026801 | 12 | 12 | [
"O",
"V"
] |
mp-1094671 | mp-1094671 | Mg2Ga | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57282533
_cell_length_b 5.57282533
_cell_length_c 4.94590100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 125.95718083
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06373000
_cell_length_b 9.92895600
_cell_length_c 4.94590100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
1.2364752500000016,
3.873441602563282,
-0.2116859300924218
],
[
1.236475250000001,
2.445759758605671,
2.5617424708524412
],
[
3.709425750000001,
2.06519737129844,
0.7105117874314221
],
[
3.7094257500000007,
0.6375155273408286,
3.4839401883762857
],
[... | [
[
4.945901,
0,
3.028490914274847e-16
],
[
1.7270509269752229e-15,
4.510957129904111,
-2.3005710717161367
],
[
0,
0,
5.57282533
]
] | [
12,
12,
12,
12,
31,
31
] | [
1,
1,
1
] | -0.074606 | 0 | 0.062182 | 63 | 63 | [
"Ga",
"Mg"
] |
mp-1102521 | mp-1102521 | PrGaPd | # generated using pymatgen
data_PrGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57654500
_cell_length_b 7.10785800
_cell_length_c 7.93066100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57654500
_cell_length_b 7.10785800
_cell_length_c 7.93066100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.14413625,
0.22081982448600002,
5.473528094353
],
[
1.1441362499999999,
3.7747488244859997,
6.422463405647
],
[
3.43240875,
6.887038175514,
2.4571329056470006
],
[
3.4324087500000005,
3.333109175514,
1.5081975943530004
],
[
1.14413625,
1.129... | [
[
4.576545,
0,
2.802325592701912e-16
],
[
-4.352307774246954e-16,
7.107858,
4.352307774246954e-16
],
[
0,
0,
7.930661
]
] | [
59,
59,
59,
59,
31,
31,
31,
31,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.820333 | 0 | 0 | 62 | 62 | [
"Ga",
"Pd",
"Pr"
] |
mp-1111936 | mp-1111936 | K2HgPdF6 | # generated using pymatgen
data_K2HgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32798768
_cell_length_b 6.32798768
_cell_length_c 6.32798768
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2HgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.94912600
_cell_length_b 8.94912600
_cell_length_c 8.94912600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8267326952383174,
1.2916950762181938,
3.1639938400000003
],
[
5.480198085714951,
3.87508522865458,
9.49198152
],
[
3.6534653904766334,
2.5833901524363876,
6.32798768
],
[
0,
0,
0
],
[
2.7128040029252234,
3.913686244312285,
4.69871436404... | [
[
5.480198085714952,
0,
3.1639938400000007
],
[
1.8267326952383163,
5.1667803048727725,
3.1639938400000003
],
[
0,
0,
6.327987679999999
]
] | [
19,
19,
80,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.13482 | 0 | 0.071807 | 225 | 225 | [
"F",
"Hg",
"K",
"Pd"
] |
mp-1570812 | mp-1570812 | Li2V4CrCuO12 | # generated using pymatgen
data_Li2V4CrCuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92377547
_cell_length_b 6.92401092
_cell_length_c 5.65040428
_cell_angle_alpha 72.22556126
_cell_angle_beta 107.77423689
_cell_angle_gamma 103.45791492
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Li2V4CrCuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.87175181
_cell_length_b 8.57707412
_cell_length_c 5.65040428
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.88191396
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
1.7967159571104458,
1.7274232046883724,
5.946562093903213
],
[
5.258474435518336,
4.67833713554322,
4.402897874422126
],
[
4.855690119891335,
4.000292239587608,
7.988896937700706
],
[
2.6447892320932853,
5.322399978389972,
6.026663169260527
],
[
... | [
[
5.380692135228242,
0,
1.7248827998838823
],
[
1.7030720546411104,
6.514964169643151,
1.611432488578306
],
[
0,
0,
6.92377547
]
] | [
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3,
23,
23,
23,
23,
24,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.254647 | 0.6308 | 0.065709 | 5 | 5 | [
"Cr",
"Cu",
"Li",
"O",
"V"
] |
mp-1217793 | mp-1217793 | SrTiFe3(BiO4)3 | # generated using pymatgen
data_SrTiFe3(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87098326
_cell_length_b 9.87098326
_cell_length_c 9.87098321
_cell_angle_alpha 33.16073306
_cell_angle_beta 33.16073306
_cell_angle_gamma 33.16072792
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_SrTiFe3(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63356641
_cell_length_b 5.63356641
_cell_length_c 27.95917694
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
2.8746730664437705,
1.7578630286737777,
10.086985381313736
],
[
7.777407349638741,
4.755885807835073,
3.4914677239565983
],
[
5.828885959086886,
3.56436467347928,
10.035842212609687
],
[
1.930789982656032,
1.1806783756608143,
3.386162069872617
],
[
... | [
[
5.399325471992005,
0,
1.6075943793386664
],
[
2.4603411484967723,
4.806187364795017,
1.6075943793386664
],
[
0,
0,
9.87098321
]
] | [
38,
22,
26,
26,
26,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.113264 | 2.0819 | 0.030607 | 146 | 146 | [
"Bi",
"Fe",
"O",
"Sr",
"Ti"
] |
mp-1399 | mp-1399 | AlAu | # generated using pymatgen
data_AlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41142900
_cell_length_b 6.41211800
_cell_length_c 6.45642510
_cell_angle_alpha 87.50773952
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | # generated using pymatgen
data_AlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41211800
_cell_length_b 3.41142900
_cell_length_c 6.45642510
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.49226048
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | [
[
2.55857175,
3.520510380583567,
5.1428892279105645
],
[
0.8528572499999995,
2.885542426359382,
1.0347085409642895
],
[
2.5585717499999996,
5.903869515301077,
1.8048123796002171
],
[
0.85285725,
0.5021832916418725,
4.372785389274638
],
[
2.55857175... | [
[
3.411429,
0,
2.088897802684228e-16
],
[
-3.9225760325958e-16,
6.406052806942949,
-0.2788273311251454
],
[
0,
0,
6.4564251
]
] | [
13,
13,
13,
13,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.395538 | 0 | 0 | 11 | 11 | [
"Al",
"Au"
] |
mp-7559 | mp-7559 | YNi4B | # generated using pymatgen
data_YNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97643824
_cell_length_b 4.97643824
_cell_length_c 6.95263300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000313
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97643824
_cell_length_b 4.97643824
_cell_length_c 6.95263300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.4763165
],
[
0,
0,
0
],
[
2.4882190022825195,
1.4365740013895127,
6.9526330000000005
],
[
6.101866790465359e-16,
2.873148002779026,
6.9526330000000005
],
[
1.2441095011412595,
2.1548610020842696,
4.921838427030001
],
[
4.4... | [
[
4.976438004565037,
0,
1.4097101543298457e-15
],
[
-2.488219002282518,
4.309722004168539,
3.047189580885244e-16
],
[
0,
0,
6.952633
]
] | [
39,
39,
28,
28,
28,
28,
28,
28,
28,
28,
5,
5
] | [
1,
1,
1
] | -0.482727 | 0 | 0 | 191 | 191 | [
"Y",
"Ni",
"B"
] |
mp-1072248 | mp-1072248 | EuSi2 | # generated using pymatgen
data_EuSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54840759
_cell_length_b 7.54840759
_cell_length_c 7.54840759
_cell_angle_alpha 147.05505629
_cell_angle_beta 147.05505629
_cell_angle_gamma 47.28226930
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28077200
_cell_length_b 4.28077200
_cell_length_c 13.82981600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9890744146048376,
1.0223378791938442,
2.5603710291849477
],
[
0,
0,
0
],
[
0.44237173848778444,
2.7234753953602677,
1.4960611054643123
],
[
2.1877833048490776,
2.3882140006089547,
-0.14952284219328973
],
[
1.0717853762248062,
3.410551879802... | [
[
4.105072343229109,
0,
-1.2138327657820953
],
[
-0.3589193712679759,
4.089351516775378,
-1.2138327659139247
],
[
0,
0,
7.54840759
]
] | [
63,
63,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.459951 | 0 | 0 | 141 | 141 | [
"Eu",
"Si"
] |
mp-2296 | mp-2296 | Ni3P | # generated using pymatgen
data_Ni3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68465204
_cell_length_b 6.68465204
_cell_length_c 6.68465204
_cell_angle_alpha 96.14923465
_cell_angle_beta 96.14923465
_cell_angle_gamma 141.79130654
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_Ni3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93286401
_cell_length_b 8.93286401
_cell_length_c 4.37563400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni... | [
[
0.9262507604555418,
1.2041122434635745,
0.5451720731303961
],
[
3.1323385923265654,
5.112376470084003,
7.545230687851215
],
[
4.812237417319765,
6.10448840285478,
2.941090698057813
],
[
3.5331032347464304,
0.21200031069279743,
6.634097011898114
],
[
... | [
[
4.134641956351859,
0,
1.4320994425811966
],
[
2.0673209787513134,
6.316488713547578,
0.7160497214898908
],
[
0,
0,
6.6846520400000005
]
] | [
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.440654 | 0 | 0 | 82 | 82 | [
"Ni",
"P"
] |
mp-1224481 | mp-1224481 | HfAlCu | # generated using pymatgen
data_HfAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15545186
_cell_length_b 5.15545186
_cell_length_c 8.32531200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.87911986
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24254800
_cell_length_b 8.87865001
_cell_length_c 8.32531200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.056350155243636235,
3.010850235733009,
5.796232070016001
],
[
2.594696753139401,
1.5120408580895581,
6.813077352384001
],
[
2.594696753139401,
1.5120408580895581,
1.5122346476160005
],
[
0.056350155243636235,
3.010850235733009,
2.5290799299840003
],
... | [
[
5.15545186,
0,
3.1568038092536344e-16
],
[
-2.4898940850133275,
4.514322908941396,
3.1568038092536344e-16
],
[
0,
0,
8.325312
]
] | [
72,
72,
72,
72,
13,
13,
13,
13,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.332944 | 0 | 0.030488 | 38 | 38 | [
"Al",
"Cu",
"Hf"
] |
mp-865717 | mp-865717 | Ti2ReIr | # generated using pymatgen
data_Ti2ReIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40070309
_cell_length_b 4.40070309
_cell_length_c 4.40070309
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ti2ReIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22353399
_cell_length_b 6.22353399
_cell_length_c 6.22353399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8111206704526768,
2.6948692699973087,
6.601054635
],
[
1.2703735568175587,
0.8982897566657684,
2.200351545
],
[
0,
0,
0
],
[
2.540747113635117,
1.7965795133315388,
4.40070309
]
] | [
[
3.811120670452677,
0,
2.2003515449999997
],
[
1.270373556817559,
3.5931590266630784,
2.200351545
],
[
0,
0,
4.4007030899999995
]
] | [
22,
22,
75,
77
] | [
1,
1,
1
] | -0.759293 | 0 | 0 | 225 | 225 | [
"Ti",
"Re",
"Ir"
] |
mp-642795 | mp-642795 | PHSF2 | # generated using pymatgen
data_PHSF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50408100
_cell_length_b 8.67488200
_cell_length_c 9.40331545
_cell_angle_alpha 81.86548832
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_PHSF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67488200
_cell_length_b 4.50408100
_cell_length_c 9.40331545
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.13451168
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
0.18858136738899992,
5.009576813414823,
1.8409775377780062
],
[
2.4406218673889994,
7.871824095340187,
5.721126223074157
],
[
4.315499632611,
3.57802379242185,
6.334863452790103
],
[
2.063459132611,
0.715776510496486,
2.4547147674939525
],
[
3.74... | [
[
4.504081,
0,
2.757954189875205e-16
],
[
-5.258388797146876e-16,
8.587600605836673,
-1.2274744594318912
],
[
0,
0,
9.40331545
]
] | [
15,
15,
15,
15,
1,
1,
1,
1,
16,
16,
16,
16,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.630215 | 4.5691 | 0 | 14 | 14 | [
"F",
"H",
"P",
"S"
] |
mp-22999 | mp-22999 | Hg3(ClO)2 | # generated using pymatgen
data_Hg3(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10408500
_cell_length_b 6.48583800
_cell_length_c 6.95787098
_cell_angle_alpha 66.25148898
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Hg3(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48583800
_cell_length_b 7.10408500
_cell_length_c 6.95787098
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.74851102
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.072069161592307,
1.5198055528241536,
0.9660632068949994
],
[
2.012721838626241,
1.6645404472180731,
4.518105706895001
],
[
0.6116748388447883,
4.8488864472603,
6.138021793105001
],
[
1.6710221618108543,
4.704151552866381,
2.5859792931050007
],
[
... | [
[
6.485838,
0,
3.9714303732441354e-16
],
[
-2.802093999562905,
6.368692000084454,
4.260467212268629e-16
],
[
0,
0,
7.104085
]
] | [
80,
80,
80,
80,
80,
80,
17,
17,
17,
17,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.802132 | 0.3047 | 0.007352 | 14 | 14 | [
"Cl",
"Hg",
"O"
] |
mp-1114380 | mp-1114380 | Rb3VF6 | # generated using pymatgen
data_Rb3VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53629144
_cell_length_b 6.53629144
_cell_length_c 6.53629144
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb3VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.24371200
_cell_length_b 9.24371200
_cell_length_c 9.24371200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.660594433578771,
4.002644709530373,
9.804437159999999
],
[
1.8868648111929236,
1.3342149031767911,
3.2681457199999984
],
[
3.7737296223858467,
2.668429806353582,
6.536291439999999
],
[
0,
0,
0
],
[
2.697261926411416,
4.190785021457138,
... | [
[
5.660594433578772,
0,
3.2681457199999997
],
[
1.8868648111929225,
5.336859612707165,
3.2681457199999993
],
[
0,
0,
6.53629144
]
] | [
37,
37,
37,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.042531 | 0 | 0 | 225 | 225 | [
"F",
"Rb",
"V"
] |
mp-1219145 | mp-1219145 | Re(Te2Mo)2 | # generated using pymatgen
data_Re(Te2Mo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10699200
_cell_length_b 7.15081197
_cell_length_c 7.16903276
_cell_angle_alpha 92.94104832
_cell_angle_beta 92.79293774
_cell_angle_gamma 92.81209317
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Re(Te2Mo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10699200
_cell_length_b 7.15081197
_cell_length_c 7.16903276
_cell_angle_alpha 92.94104832
_cell_angle_beta 92.79293774
_cell_angle_gamma 92.81209317
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.9269089744409054,
5.3533494224772715,
3.7423609327585443
],
[
5.113253430925958,
4.150756067509039,
2.7907470742205844
],
[
1.6014757553372012,
4.4509140918031616,
5.9872658810108055
],
[
4.087346127002669,
6.275482913226947,
1.351734577286632
],
[... | [
[
7.098549966386003,
0,
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],
[
-0.36913914497647904,
7.131846515411498,
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],
[
0,
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]
] | [
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52,
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52,
52,
52,
42,
42,
42,
42
] | [
1,
1,
1
] | -0.466519 | 0 | 0.010661 | 1 | 1 | [
"Mo",
"Re",
"Te"
] |
mp-1009834 | mp-1009834 | Al2Ru | # generated using pymatgen
data_Al2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78170926
_cell_length_b 4.78170926
_cell_length_c 4.78170926
_cell_angle_alpha 141.48011906
_cell_angle_beta 141.48011906
_cell_angle_gamma 55.61269223
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Al2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15453600
_cell_length_b 3.15453600
_cell_length_c 8.45912401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
1.7250411296419899,
1.9502362501516088,
0.1552978757045485
],
[
0.8893666107027244,
1.0054687822005124,
2.545336008427797
],
[
0,
0,
0
]
] | [
[
2.97798232284733,
0,
-1.0405376879632413
],
[
-0.36357458250261604,
2.955705032352121,
-1.0405376879044144
],
[
0,
0,
4.78170926
]
] | [
13,
13,
44
] | [
1,
1,
1
] | -0.685839 | 0 | 0.033001 | 139 | 139 | [
"Al",
"Ru"
] |
mp-1187641 | mp-1187641 | YbEuTl2 | # generated using pymatgen
data_YbEuTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58678421
_cell_length_b 5.58678421
_cell_length_c 5.58678421
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbEuTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90090600
_cell_length_b 7.90090600
_cell_length_c 7.90090600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.2255313675478505,
2.2807951029230025,
5.58678421
],
[
4.838297051321775,
3.4211926543845044,
8.380176315
],
[
1.6127656837739268,
1.1403975514615001,
2.793392105000001
]
] | [
[
4.838297051321776,
0,
2.7933921050000006
],
[
1.6127656837739242,
4.561590205846007,
2.793392105
],
[
0,
0,
5.586784209999999
]
] | [
70,
63,
81,
81
] | [
1,
1,
1
] | -0.457645 | 0 | 0 | 225 | 225 | [
"Eu",
"Tl",
"Yb"
] |
mp-1217341 | mp-1217341 | ThUAl6 | # generated using pymatgen
data_ThUAl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36745630
_cell_length_b 6.36745630
_cell_length_c 4.60167800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000312
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ThUAl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36745630
_cell_length_b 6.36745630
_cell_length_c 4.60167800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
7.037392612561551e-16,
1.8381262466398873,
3.1837282500938304
],
[
2.300839,
0,
1.4088575583516983e-16
],
[
1.7219535600150186e-15,
4.497643102232012,
1.42269055720934
],
[
1.7219535600150188e-15,
4.497643102232013,
-1.4226836999212598
],
[
7.785... | [
[
4.601678,
0,
2.8177151167033967e-16
],
[
2.1112177837684643e-15,
5.5143787399196595,
-3.1837278497185086
],
[
0,
0,
6.3674563
]
] | [
90,
92,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.242206 | 0 | 0.033394 | 187 | 187 | [
"Al",
"Th",
"U"
] |
mp-16687 | mp-16687 | Ti5Sb2Rh | # generated using pymatgen
data_Ti5Sb2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86917770
_cell_length_b 7.86917770
_cell_length_c 7.86917770
_cell_angle_alpha 96.35558094
_cell_angle_beta 96.35558094
_cell_angle_gamma 141.13284998
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ti5Sb2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.49467200
_cell_length_b 10.49467200
_cell_length_c 5.23636800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
6.705533584397116,
6.400857392659959,
4.601693953186203
],
[
2.808387291296975,
5.312351724501419,
7.77839867994646
],
[
4.598674006694535,
2.1085020145977156,
2.7040968487592707
],
[
0.7015277135943936,
1.019996346439176,
5.880801575519527
],
[
... | [
[
4.9380408650039715,
0,
1.742211885689615
],
[
2.4690204329875387,
7.420853739099135,
0.8711059430161159
],
[
0,
0,
7.8691777
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
51,
51,
51,
51,
45,
45
] | [
1,
1,
1
] | -0.515011 | 0 | 0.077545 | 140 | 140 | [
"Rh",
"Sb",
"Ti"
] |
mp-1184223 | mp-1184223 | ErScRu2 | # generated using pymatgen
data_ErScRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65643958
_cell_length_b 4.65643958
_cell_length_c 4.65643958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErScRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58520001
_cell_length_b 6.58520001
_cell_length_c 6.58520001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6883966449782277,
1.9009834981832672,
4.656439579999999
],
[
0,
0,
0
],
[
4.032594967467341,
2.8514752472749016,
6.984659369999999
],
[
1.344198322489114,
0.9504917490916343,
2.328219789999999
]
] | [
[
4.032594967467342,
0,
2.3282197899999995
],
[
1.3441983224891136,
3.8019669963665352,
2.32821979
],
[
0,
0,
4.65643958
]
] | [
68,
21,
44,
44
] | [
1,
1,
1
] | -0.454366 | 0 | 0.004752 | 225 | 225 | [
"Er",
"Ru",
"Sc"
] |
mp-1179917 | mp-1179917 | Pr | # generated using pymatgen
data_Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71319954
_cell_length_b 3.71319954
_cell_length_c 9.06530400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999183
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
... | # generated using pymatgen
data_Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71319954
_cell_length_b 3.71319954
_cell_length_c 9.06530400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
... | [
[
1.2641310905033523,
2.1895389156658016,
3.021768000000001
],
[
3.1207310897739378,
1.0261860829254457,
6.043536000000001
],
[
-0.6716621817361192,
3.2157249985912473,
9.065304
]
] | [
[
3.71319999854117,
0,
1.051863951324071e-15
],
[
-1.8565999992705848,
3.2157249985912473,
2.2736789656282123e-16
],
[
0,
0,
9.065304
]
] | [
59,
59,
59
] | [
1,
1,
1
] | 0.013607 | 0 | 0.013607 | 154 | 154 | [
"Pr"
] |
mp-867344 | mp-867344 | Er2NiOs | # generated using pymatgen
data_Er2NiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75510784
_cell_length_b 4.75510784
_cell_length_c 4.75510784
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er2NiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72473800
_cell_length_b 6.72473800
_cell_length_c 6.72473800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3726813957248498,
0.9706323233256562,
2.3775539199999995
],
[
4.11804418717455,
2.911896969976968,
7.1326617599999995
],
[
0,
0,
0
],
[
2.7453627914497,
1.9412646466513115,
4.755107839999999
]
] | [
[
4.11804418717455,
0,
2.3775539199999995
],
[
1.3726813957248492,
3.8825292933026248,
2.3775539199999995
],
[
0,
0,
4.75510784
]
] | [
68,
68,
28,
76
] | [
1,
1,
1
] | -0.356069 | 0 | 0.047857 | 225 | 225 | [
"Er",
"Ni",
"Os"
] |
mp-1185371 | mp-1185371 | LiLu2Au | # generated using pymatgen
data_LiLu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98785487
_cell_length_b 4.98785487
_cell_length_c 4.98785487
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiLu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05389200
_cell_length_b 7.05389200
_cell_length_c 7.05389200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.4398696759366427,
1.018141611879677,
2.4939274350000002
],
[
4.3196090278099275,
3.0544248356390304,
7.4817823049999985
],
[
2.8797393518732854,
2.036283223759354,
4.98785487
]
] | [
[
4.319609027809928,
0,
2.4939274349999994
],
[
1.4398696759366416,
4.072566447518707,
2.493927434999999
],
[
0,
0,
4.98785487
]
] | [
3,
71,
71,
79
] | [
1,
1,
1
] | -0.446512 | 0 | 0.060609 | 225 | 225 | [
"Au",
"Li",
"Lu"
] |
mp-37520 | mp-37520 | Ca(PrTe2)2 | # generated using pymatgen
data_Ca(PrTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32624583
_cell_length_b 8.32624583
_cell_length_c 8.32624583
_cell_angle_alpha 109.73736210
_cell_angle_beta 109.73736210
_cell_angle_gamma 108.94023898
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ca(PrTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.58271599
_cell_length_b 9.58271599
_cell_length_c 9.67721999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.9507950537324013,
5.106877317213898,
-1.351273831438617
],
[
0,
0,
0
],
[
-0.012461436556228693,
1.6972945084701851,
4.180833159757628
],
[
3.408551337726197,
2.5534386586069484,
1.3882142973384797
],
[
4.881798130271951,
3.409582808743712,... | [
[
7.837083279966643,
0,
-2.811849082612344
],
[
-3.956995448334559,
6.809169756285197,
-2.7025476635099253
],
[
0,
0,
8.32624583
]
] | [
20,
20,
59,
59,
59,
59,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.738783 | 1.1095 | 0.015104 | 122 | 122 | [
"Ca",
"Pr",
"Te"
] |
mp-865321 | mp-865321 | Lu2IrRu | # generated using pymatgen
data_Lu2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72548572
_cell_length_b 4.72548572
_cell_length_c 4.72548572
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Lu2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68284599
_cell_length_b 6.68284599
_cell_length_c 6.68284599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.092390678740599,
2.8937572002020957,
7.088228580000001
],
[
1.3641302262468664,
0.9645857334006984,
2.36274286
],
[
2.728260452493733,
1.9291714668013977,
4.72548572
],
[
0,
0,
0
]
] | [
[
4.092390678740599,
0,
2.3627428600000004
],
[
1.3641302262468664,
3.8583429336027937,
2.3627428600000004
],
[
0,
0,
4.72548572
]
] | [
71,
71,
77,
44
] | [
1,
1,
1
] | -0.777037 | 0 | 0 | 225 | 225 | [
"Lu",
"Ir",
"Ru"
] |
mp-1214116 | mp-1214116 | Ca2YNbO6 | # generated using pymatgen
data_Ca2YNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65497016
_cell_length_b 5.87017500
_cell_length_c 8.15756363
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.60377554
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca2YNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65497016
_cell_length_b 5.87017500
_cell_length_c 9.89376114
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.46255194
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.08169540040085434,
2.616143281725,
2.045780375058535
],
[
5.573139541168641,
3.254031718275,
6.1508894449265785
],
[
2.7457220703838927,
5.551230781725,
2.052554534934022
],
[
2.9091128711856022,
0.31894421827499997,
6.144115285051091
],
[
0,
... | [
[
5.654834941569495,
0,
0.03910618998511304
],
[
-3.594445512092407e-16,
5.870175,
3.594445512092407e-16
],
[
0,
0,
8.15756363
]
] | [
20,
20,
20,
20,
39,
39,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.47818 | 3.3203 | 0.015928 | 14 | 14 | [
"Ca",
"Nb",
"O",
"Y"
] |
mp-1220460 | mp-1220460 | Nb4CuSe8 | # generated using pymatgen
data_Nb4CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.55998827
_cell_length_b 13.55998827
_cell_length_c 6.07199916
_cell_angle_alpha 77.24450370
_cell_angle_beta 77.24450370
_cell_angle_gamma 14.86542532
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Nb4CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 26.89210001
_cell_length_b 3.50828800
_cell_length_c 6.07199916
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.86542873
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.0626687175156637,
3.7648794964242733,
2.250998002562258
],
[
0.4128150702188643,
0.6817800950323886,
3.164353709789426
],
[
1.2412432810153229,
2.154686508337117,
9.514509194031236
],
[
2.8910969283121224,
5.237785909729003,
8.601153486804069
],
[
... | [
[
3.478809491494983,
0,
-0.4538383240997168
],
[
-0.1748974929639963,
5.919566004761392,
-1.340642749306787
],
[
0,
0,
13.55998827
]
] | [
41,
41,
41,
41,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.069854 | 0 | 0.001046 | 12 | 12 | [
"Cu",
"Nb",
"Se"
] |
mp-22349 | mp-22349 | Sm(FeGe)2 | # generated using pymatgen
data_Sm(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08121249
_cell_length_b 6.08121249
_cell_length_c 6.08121249
_cell_angle_alpha 141.64433272
_cell_angle_beta 141.64433272
_cell_angle_gamma 55.36491578
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99537200
_cell_length_b 3.99537200
_cell_length_c 10.77026400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.716110647634051,
0.936482829670088,
1.728121486507916
],
[
0.6010460285895642,
2.8094484890102644,
1.728121486670734
],
[
2.055923950573253,
2.3216720423483017,
-0.17004065575382013
],
[
1.2612327256503617,
1.42425927633205,
... | [
[
3.773642957156293,
0,
-1.3124847585734931
],
[
-0.45648628093267857,
3.745931318680353,
-1.3124847582478576
],
[
0,
0,
6.08121249
]
] | [
62,
26,
26,
32,
32
] | [
1,
1,
1
] | -0.446977 | 0 | 0 | 139 | 139 | [
"Fe",
"Ge",
"Sm"
] |
mp-1187003 | mp-1187003 | Sm2IrAu | # generated using pymatgen
data_Sm2IrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07790067
_cell_length_b 5.07790067
_cell_length_c 5.07790067
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sm2IrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18123600
_cell_length_b 7.18123600
_cell_length_c 7.18123600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.397590978114021,
3.1095664015092064,
7.616851004999999
],
[
1.4658636593713399,
1.0365221338364012,
2.5389503349999996
],
[
0,
0,
0
],
[
2.93172731874268,
2.073044267672804,
5.07790067
]
] | [
[
4.397590978114022,
0,
2.5389503349999996
],
[
1.4658636593713392,
4.1460885353456085,
2.538950335
],
[
0,
0,
5.077900669999999
]
] | [
62,
62,
77,
79
] | [
1,
1,
1
] | -0.735749 | 0 | 0 | 225 | 225 | [
"Au",
"Ir",
"Sm"
] |
mp-1183086 | mp-1183086 | Ac2CdHg | # generated using pymatgen
data_Ac2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74971717
_cell_length_b 5.74971717
_cell_length_c 5.74971717
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ac2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13132800
_cell_length_b 8.13132800
_cell_length_c 8.13132800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.659800377931858,
1.1736561026516081,
2.8748585850000006
],
[
4.9794011337955695,
3.5209683079548304,
8.624575755
],
[
3.3196007558637133,
2.3473122053032203,
5.74971717
],
[
0,
0,
0
]
] | [
[
4.9794011337955695,
0,
2.874858585
],
[
1.6598003779318566,
4.6946244106064405,
2.874858585
],
[
0,
0,
5.749717169999999
]
] | [
89,
89,
48,
80
] | [
1,
1,
1
] | -0.363939 | 0 | 0 | 225 | 225 | [
"Ac",
"Cd",
"Hg"
] |
mp-1213174 | mp-1213174 | CsSc(WO4)2 | # generated using pymatgen
data_CsSc(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99945000
_cell_length_b 5.68578716
_cell_length_c 8.81350455
_cell_angle_alpha 93.56418589
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.84229703
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CsSc(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66019163
_cell_length_b 5.99945000
_cell_length_c 8.81350455
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.19665685
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
4.406752275
],
[
0,
0,
0
],
[
3.004236957017255,
1.8707972282750138,
7.385459918129188
],
[
5.17399999617365,
3.22194157458391,
2.134977501408859
],
[
2.6076226742879665,
1.6238146745527644,
5.673939791842987
],
[
5.57061427... | [
[
5.674789611190757,
0,
0.3534664347690239
],
[
2.503447342000147,
5.092738802858924,
0.35346643476902423
],
[
0,
0,
8.81350455
]
] | [
55,
21,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.594964 | 4.1966 | 0.003174 | 12 | 12 | [
"Cs",
"O",
"Sc",
"W"
] |
mp-1189858 | mp-1189858 | Ba4Hf3S10 | # generated using pymatgen
data_Ba4Hf3S10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.23506889
_cell_length_b 18.23506889
_cell_length_c 18.23506889
_cell_angle_alpha 164.23357844
_cell_angle_beta 164.23357844
_cell_angle_gamma 22.36859029
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ba4Hf3S10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00203600
_cell_length_b 5.00203600
_cell_length_c 35.77750999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.0968461393515594,
2.1374396252850754,
15.143749743000486
],
[
2.762926589578748,
2.8164149307328996,
1.7192177148347823
],
[
1.4562940752694427,
1.4844869178200144,
10.51758286610136
],
[
3.4034786536608643,
3.469367638197961,
6.345384591733906
],
... | [
[
4.954765235325713,
0,
-0.6860507165411737
],
[
-0.09499250639540585,
4.9538545560179745,
-0.6860507156235618
],
[
0,
0,
18.23506889
]
] | [
56,
56,
56,
56,
72,
72,
72,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.146928 | 0.8299 | 0.021458 | 139 | 139 | [
"Ba",
"Hf",
"S"
] |
mp-867815 | mp-867815 | AcGa3 | # generated using pymatgen
data_AcGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84112248
_cell_length_b 6.84112248
_cell_length_c 4.70498700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000467
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AcGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84112248
_cell_length_b 6.84112248
_cell_length_c 4.70498700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.176246750000002,
3.9497237195210126,
3.2192964814601463e-7
],
[
3.528740250000001,
1.9748618597605059,
3.420561400964825
],
[
3.528740250000002,
5.12117622721747,
-2.0290217811770757
],
[
3.5287402500000007,
1.6068127795425193,
-0.000003289594947465273... | [
[
4.704987,
0,
2.880973634789954e-16
],
[
2.268268290295121e-15,
5.924585579281519,
-3.420560757105528
],
[
0,
0,
6.84112248
]
] | [
89,
89,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.531825 | 0 | 0 | 194 | 194 | [
"Ac",
"Ga"
] |
mp-4276 | mp-4276 | NaSi2Pd3 | # generated using pymatgen
data_NaSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74065316
_cell_length_b 6.74065316
_cell_length_c 6.74065316
_cell_angle_alpha 129.32671348
_cell_angle_beta 116.68558179
_cell_angle_gamma 85.24841538
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_NaSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76913600
_cell_length_b 7.07547600
_cell_length_c 9.91969401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9894352551276067,
5.76030229852079,
9.877301317869392
],
[
5.994144777186248,
2.8801511492603944,
7.30578201944931
],
[
2.459296832170156,
3.9694243139106757,
7.32177364374322
],
[
2.381899951906059,
0.9062856415331717,
2.533607463548899
],
[
3... | [
[
5.214197330569955,
0,
2.468820857212779
],
[
1.7582533880821267,
5.76030229852079,
3.0271880477386595
],
[
0,
0,
6.7406531597844905
]
] | [
11,
11,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.621112 | 0 | 0 | 44 | 44 | [
"Na",
"Si",
"Pd"
] |
mp-865560 | mp-865560 | Y2AlZn | # generated using pymatgen
data_Y2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09392654
_cell_length_b 5.09392654
_cell_length_c 5.09392654
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20390000
_cell_length_b 7.20390000
_cell_length_c 7.20390000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.411469788651766,
3.1193802025552504,
7.640889809999999
],
[
1.4704899295505889,
1.0397934008517502,
2.54696327
],
[
2.9409798591011778,
2.079586801703501,
5.093926539999999
],
[
0,
0,
0
]
] | [
[
4.411469788651767,
0,
2.54696327
],
[
1.4704899295505882,
4.159173603407001,
2.54696327
],
[
0,
0,
5.093926539999999
]
] | [
39,
39,
13,
30
] | [
1,
1,
1
] | -0.406523 | 0 | 0 | 225 | 225 | [
"Y",
"Al",
"Zn"
] |
mp-15081 | mp-15081 | Sm2Se3 | # generated using pymatgen
data_Sm2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12959800
_cell_length_b 11.13257400
_cell_length_c 11.40329100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sm2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12959800
_cell_length_b 11.13257400
_cell_length_c 11.40329100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0323994999999992,
11.107993276608001,
7.909801575822
],
[
3.0971984999999997,
0.024580723391999997,
3.493489424178
],
[
3.0971984999999993,
5.541706276608,
9.195134924178
],
[
1.0323994999999995,
5.590867723392,
2.2081560758220005
],
[
1.032399... | [
[
4.129598,
0,
2.528649486232656e-16
],
[
-6.816735557685523e-16,
11.132574,
6.816735557685523e-16
],
[
0,
0,
11.403291
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -2.171694 | 0.5062 | 0 | 62 | 62 | [
"Se",
"Sm"
] |
mp-759749 | mp-759749 | KFeO2 | # generated using pymatgen
data_KFeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43791258
_cell_length_b 6.72060775
_cell_length_c 6.89296831
_cell_angle_alpha 81.72069265
_cell_angle_beta 76.50321187
_cell_angle_gamma 103.85401925
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KFeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.05019651
_cell_length_b 3.21895629
_cell_length_c 8.30557624
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.93523255
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9662169646375496,
2.188289832116503,
4.024555801848363
],
[
4.096250913742591,
2.1883089636458215,
3.2732686606420027
],
[
3.4066916068252215,
4.188861098563254,
0.3981107652312117
],
[
0.27660688642152587,
4.188886607269011,
1.1493794685150798
],
... | [
[
6.260116782280456,
0,
-1.5025499192815
],
[
-1.8872282799643703,
6.377176439385514,
-0.9677595825457276
],
[
0,
0,
6.89296831
]
] | [
19,
19,
19,
19,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.687322 | 0 | 0.049781 | 12 | 12 | [
"Fe",
"K",
"O"
] |
mp-4081 | mp-4081 | TaCu3Se4 | # generated using pymatgen
data_TaCu3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71210900
_cell_length_b 5.71210900
_cell_length_c 5.71210900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaCu3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71210900
_cell_length_b 5.71210900
_cell_length_c 5.71210900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.8560545,
0,
1.748829000807697e-16
],
[
0,
0,
2.8560545
],
[
-1.748829000807697e-16,
2.8560545,
1.748829000807697e-16
],
[
1.422063808204,
1.422063808204,
1.4220638082040002
],
[
4.2900451917960005,
4.29004519179... | [
[
5.712109,
0,
3.497658001615394e-16
],
[
-3.497658001615394e-16,
5.712109,
3.497658001615394e-16
],
[
0,
0,
5.712109
]
] | [
73,
29,
29,
29,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.750568 | 1.753 | 0 | 215 | 215 | [
"Ta",
"Cu",
"Se"
] |
mp-9319 | mp-9319 | Ba2PrPtO6 | # generated using pymatgen
data_Ba2PrPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10938562
_cell_length_b 6.10938562
_cell_length_c 6.10938562
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2PrPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63997600
_cell_length_b 8.63997600
_cell_length_c 8.63997600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7636277161451144,
1.247073117574754,
3.054692810000002
],
[
5.290883148435342,
3.7412193527242605,
9.164078430000004
],
[
3.5272554322902283,
2.494146235149507,
6.109385620000002
],
[
0,
0,
0
],
[
5.419338736768489,
3.8320511703159363,
... | [
[
5.290883148435344,
0,
3.0546928100000015
],
[
1.7636277161451128,
4.988292470299014,
3.054692810000002
],
[
0,
0,
6.10938562
]
] | [
56,
56,
59,
78,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.561268 | 0 | 0 | 225 | 225 | [
"Ba",
"O",
"Pr",
"Pt"
] |
mp-567838 | mp-567838 | La2AlNi9H | # generated using pymatgen
data_La2AlNi9H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08988200
_cell_length_b 4.97689500
_cell_length_c 5.00964672
_cell_angle_alpha 60.60639800
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2AlNi9H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97689500
_cell_length_b 8.08988200
_cell_length_c 5.00964672
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.39360200
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.014620716093845493,
0.01772524162634318,
5.937520354608
],
[
0.01462071609384563,
0.01772524162634294,
2.1523616453919994
],
[
1.2832247032206154,
2.213167296933103,
3.10455386285033e-16
],
[
2.511291459861418,
1.4546352010760137,
6.051498702106
],
... | [
[
4.976895000000001,
0,
3.0474692657212335e-16
],
[
-2.4587669997917088,
4.3647479995919625,
3.0675239102535186e-16
],
[
0,
0,
8.089882
]
] | [
57,
57,
13,
28,
28,
28,
28,
28,
28,
28,
28,
28,
1
] | [
1,
1,
1
] | -0.359752 | 0 | 0.037354 | 6 | 6 | [
"Al",
"H",
"La",
"Ni"
] |
mp-1206744 | mp-1206744 | TmBiPd | # generated using pymatgen
data_TmBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72648699
_cell_length_b 4.72648699
_cell_length_c 4.72648699
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68426200
_cell_length_b 6.68426200
_cell_length_c 6.68426200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.728838535997764,
1.9295802335671906,
4.72648699
],
[
0,
0,
0
],
[
4.093257803996646,
2.894370350350785,
7.089730484999999
]
] | [
[
4.0932578039966465,
0,
2.3632434949999994
],
[
1.3644192679988814,
3.85916046713438,
2.3632434949999994
],
[
0,
0,
4.72648699
]
] | [
69,
83,
46
] | [
1,
1,
1
] | -0.912828 | 0 | 0 | 216 | 216 | [
"Bi",
"Pd",
"Tm"
] |
mp-865982 | mp-865982 | TmCdPd2 | # generated using pymatgen
data_TmCdPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76508653
_cell_length_b 4.76508653
_cell_length_c 4.76508653
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmCdPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73885000
_cell_length_b 6.73885000
_cell_length_c 6.73885000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.7511239908073595,
1.9453384297848815,
4.76508653
],
[
4.126685986211039,
2.918007644677321,
7.1476297949999985
],
[
1.37556199540368,
0.9726692148924403,
2.382543265
]
] | [
[
4.126685986211039,
0,
2.3825432649999994
],
[
1.3755619954036808,
3.890676859569761,
2.3825432649999994
],
[
0,
0,
4.76508653
]
] | [
69,
48,
46,
46
] | [
1,
1,
1
] | -0.764545 | 0 | 0 | 225 | 225 | [
"Tm",
"Cd",
"Pd"
] |
mp-1070137 | mp-1070137 | BaSi3Pd | # generated using pymatgen
data_BaSi3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05655965
_cell_length_b 6.05655965
_cell_length_c 6.05655965
_cell_angle_alpha 137.16598040
_cell_angle_beta 137.16598040
_cell_angle_gamma 62.18277015
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BaSi3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42314400
_cell_length_b 4.42314400
_cell_length_c 10.37300600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1423723773790053,
2.5017639235630362,
-0.5946433140444833
],
[
0.013417657412782533,
0.015668523179473866,
0.03420792901689217
],
[
0.9670700661315844,
3.533538819579551,
2.4655171283048514
],
[
3.342684282214833,
1.4991940806190382,
2.46551712821622
... | [
[
4.117714633219387,
0,
-1.6151250854440997
],
[
-0.6335137989471105,
4.068689477921026,
-1.6151250852668377
],
[
0,
0,
6.05655965
]
] | [
56,
14,
14,
14,
46
] | [
1,
1,
1
] | -0.436201 | 0 | 0 | 107 | 107 | [
"Ba",
"Pd",
"Si"
] |
mp-1111594 | mp-1111594 | K2RbTiF6 | # generated using pymatgen
data_K2RbTiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53796870
_cell_length_b 6.53796870
_cell_length_c 6.53796870
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2RbTiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.24608401
_cell_length_b 9.24608401
_cell_length_c 9.24608401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.662046983347523,
4.003671817321867,
9.80695305
],
[
1.8873489944491744,
1.334557272440623,
3.2689843500000015
],
[
3.7746979888983483,
2.669114544881245,
6.5379687
],
[
0,
0,
0
],
[
1.6233390677096455,
1.147874062942539,
6.5379687
],
... | [
[
5.662046983347523,
0,
3.2689843499999998
],
[
1.887348994449174,
5.338229089762489,
3.2689843500000006
],
[
0,
0,
6.5379687
]
] | [
19,
19,
37,
22,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.232902 | 0 | 0.066458 | 225 | 225 | [
"F",
"K",
"Rb",
"Ti"
] |
mp-1222950 | mp-1222950 | LaFeCuNi3 | # generated using pymatgen
data_LaFeCuNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08202633
_cell_length_b 5.08202633
_cell_length_c 3.94092600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000430
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LaFeCuNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08202633
_cell_length_b 5.08202633
_cell_length_c 3.94092600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.616719211144354e-16,
1.4670545712601626,
2.5410132751012124
],
[
1.1233438422288712e-15,
2.934109142520326,
2.202024240666529e-7
],
[
0,
0,
0
],
[
1.9704630000000014,
3.6615393493522497,
-1.2599509390171402
],
[
1.9704630000000007,
1.479244... | [
[
3.940926,
0,
2.4131212057882914e-16
],
[
1.6850157633433066e-15,
4.401163713780488,
-2.5410128346963634
],
[
0,
0,
5.082026330000001
]
] | [
57,
26,
29,
28,
28,
28
] | [
1,
1,
1
] | -0.182949 | 0 | 0.055865 | 187 | 187 | [
"Cu",
"Fe",
"La",
"Ni"
] |
mp-1111207 | mp-1111207 | K2RbScCl6 | # generated using pymatgen
data_K2RbScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89295217
_cell_length_b 7.89295217
_cell_length_c 7.89295217
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K2RbScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.16232001
_cell_length_b 11.16232001
_cell_length_c 11.16232001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.278499030025171,
1.6111421150577707,
3.9464760850000027
],
[
6.83549709007551,
4.833426345173306,
11.839428255
],
[
4.556998060050341,
3.2222842301155383,
7.892952170000001
],
[
0,
0,
0
],
[
3.296418471688914,
5.005012980426959,
5.70956... | [
[
6.83549709007551,
0,
3.9464760850000005
],
[
2.27849903002517,
6.444568460231074,
3.946476085
],
[
0,
0,
7.892952169999998
]
] | [
19,
19,
37,
21,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.346448 | 4.1025 | 0.07108 | 225 | 225 | [
"Cl",
"K",
"Rb",
"Sc"
] |
mp-1209845 | mp-1209845 | NdSiPd2 | # generated using pymatgen
data_NdSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71241500
_cell_length_b 6.98319200
_cell_length_c 7.57890500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71241500
_cell_length_b 6.98319200
_cell_length_c 7.57890500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.8268206595149997,
5.237394,
4.005974236945
],
[
4.885594340485,
1.745798,
3.572930763055
],
[
3.683028159515,
1.745798,
7.362383263055
],
[
2.0293868404849995,
5.237394,
0.21652173694500043
],
[
4.871541799585,
5.237394,
6.615376070635
... | [
[
5.712415,
0,
3.497845372575664e-16
],
[
-4.275971865315702e-16,
6.983192,
4.275971865315702e-16
],
[
0,
0,
7.578905
]
] | [
60,
60,
60,
60,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.915388 | 0 | 0 | 62 | 62 | [
"Nd",
"Pd",
"Si"
] |
mp-559885 | mp-559885 | Cr2AgBiO8 | # generated using pymatgen
data_Cr2AgBiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94071038
_cell_length_b 6.94071038
_cell_length_c 6.94071038
_cell_angle_alpha 136.53702139
_cell_angle_beta 136.53702139
_cell_angle_gamma 63.15117545
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cr2AgBiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13969800
_cell_length_b 5.13969800
_cell_length_c 11.82627800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.6247200633202266,
3.5353336361328083,
1.5673442533538855
],
[
0,
0,
0
],
[
3.391183794915423,
1.1784445453776025,
1.5673442536534994
],
[
2.0079519291178243,
2.356889090755205,
5.037699443503692
],
[
2.10427251999574,
0.3344095655308929,
... | [
[
4.774415660713021,
0,
-1.9030109361966927
],
[
-0.7585118024773714,
4.713778181510411,
-1.903010936795921
],
[
0,
0,
6.94071038
]
] | [
24,
24,
47,
83,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.49135 | 1.5209 | 0.010534 | 82 | 82 | [
"Ag",
"Bi",
"Cr",
"O"
] |
mp-755994 | mp-755994 | LiCo(SiO3)2 | # generated using pymatgen
data_LiCo(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20181803
_cell_length_b 5.20181803
_cell_length_c 10.40773892
_cell_angle_alpha 75.94864050
_cell_angle_beta 75.94864050
_cell_angle_gamma 89.24516661
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_LiCo(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40478001
_cell_length_b 7.30786401
_cell_length_c 10.40773892
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.94509652
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0.309449560573486,
4.542852038562854,
8.251030119020754
],
[
4.522422805067083,
0.5300524945918033,
3.0471606590207534
],
[
3.4047079733633563,
4.96920244523352,
7.316461043891695
],
[
4.797711842808035,
3.642385262294249,
12.520330503891696
],
[
... | [
[
5.0461717253669525,
0,
1.2629575350502527
],
[
-0.2454512349884499,
5.040198683894864,
1.2629575350502524
],
[
0,
0,
10.40773892
]
] | [
3,
3,
27,
27,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.604942 | 1.7111 | 0.056136 | 9 | 9 | [
"Co",
"Li",
"O",
"Si"
] |
mp-30482 | mp-30482 | Ca3Tl | # generated using pymatgen
data_Ca3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73815456
_cell_length_b 5.73815456
_cell_length_c 5.73815456
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Ca3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.11497600
_cell_length_b 8.11497600
_cell_length_c 8.11497600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
3.3129250798676786,
2.34259178953742,
5.738154559999999
],
[
4.969387619801519,
3.51388768430613,
8.607231839999999
],
[
1.6564625399338397,
1.17129589476871,
2.86907728
],
[
0,
0,
0
]
] | [
[
4.969387619801518,
0,
2.8690772799999995
],
[
1.6564625399338406,
4.68518357907484,
2.8690772799999995
],
[
0,
0,
5.73815456
]
] | [
20,
20,
20,
81
] | [
1,
1,
1
] | -0.177683 | 0 | 0.045013 | 225 | 225 | [
"Ca",
"Tl"
] |
mp-849060 | mp-849060 | VS2 | # generated using pymatgen
data_VS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19071000
_cell_length_b 3.19001801
_cell_length_c 11.45878227
_cell_angle_alpha 85.50323619
_cell_angle_beta 83.67825542
_cell_angle_gamma 60.04652872
_symmetry_Int_Tables_number 1
_chemical_formula_structural VS... | # generated using pymatgen
data_VS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19071000
_cell_length_b 3.19001801
_cell_length_c 11.45878227
_cell_angle_alpha 85.50323619
_cell_angle_beta 83.67825542
_cell_angle_gamma 60.04652872
_symmetry_Int_Tables_number 1
_chemical_formula_structural VS... | [
[
2.3752986932716227,
1.377592258675138,
6.030111260382053
],
[
4.073863332001178,
2.4170159248752205,
4.773571583483889
],
[
0.6767340545420679,
0.33816859247505504,
7.286650937280216
]
] | [
[
3.180198380709621,
0,
0.25010630431132125
],
[
1.5703990058336248,
2.7551845173502763,
0.3513339464527836
],
[
0,
0,
11.45878227
]
] | [
23,
16,
16
] | [
1,
1,
1
] | -1.182517 | 0 | 0.019101 | 2 | 2 | [
"V",
"S"
] |
mp-1516887 | mp-1516887 | Eu2NiWO6 | # generated using pymatgen
data_Eu2NiWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu2NiWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97956693
_cell_length_b 7.97956693
_cell_length_c 7.97956693
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.886466839202944,
3.455253838043598,
8.463608834999999
],
[
1.628822279734315,
1.1517512793478664,
2.821202945
],
[
0,
0,
0
],
[
3.2576445594686296,
2.3035025586957323,
5.64240589
],
[
2.462244674909629,
3.428367862949065,
4.264732877609... | [
[
4.886466839202945,
0,
2.8212029449999996
],
[
1.6288222797343141,
4.607005117391464,
2.8212029449999996
],
[
0,
0,
5.64240589
]
] | [
63,
63,
28,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.515542 | 0.443 | 0.020898 | 225 | 225 | [
"Eu",
"Ni",
"O",
"W"
] |
mp-1104534 | mp-1104534 | DyGa6 | # generated using pymatgen
data_DyGa6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01468800
_cell_length_b 6.01468800
_cell_length_c 7.58076200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | # generated using pymatgen
data_DyGa6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01468800
_cell_length_b 6.01468800
_cell_length_c 7.58076200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | [
[
3.007344,
0,
1.8414671017674988e-16
],
[
-1.8414671017674988e-16,
3.007344,
1.8414671017674988e-16
],
[
3.007344,
3.007344,
1.2147640451660005
],
[
0,
0,
1.214764045166
],
[
0,
0,
6.3659979548339996
],
[
3.007344,
3.007344,
... | [
[
6.014688,
0,
3.6829342035349975e-16
],
[
-3.6829342035349975e-16,
6.014688,
3.6829342035349975e-16
],
[
0,
0,
7.580762
]
] | [
66,
66,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.298482 | 0 | 0.008653 | 125 | 125 | [
"Dy",
"Ga"
] |
mp-1219144 | mp-1219144 | Sm2AsSe | # generated using pymatgen
data_Sm2AsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28229349
_cell_length_b 7.28229349
_cell_length_c 7.28229346
_cell_angle_alpha 33.48971206
_cell_angle_beta 33.48971206
_cell_angle_gamma 33.48971635
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sm2AsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19620774
_cell_length_b 4.19620774
_cell_length_c 20.60246852
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4834471367049262,
0.9082004068030847,
2.351733824792201
],
[
4.3620970746994185,
2.6705760115970856,
7.348500741650234
],
[
0,
0,
0
],
[
2.9227721057021716,
1.7893882092000848,
4.850117283221215
]
] | [
[
4.0182766635079386,
0,
1.2089705532212172
],
[
1.827267547896406,
3.5787764184001696,
1.2089705532212172
],
[
0,
0,
7.28229346
]
] | [
62,
62,
33,
34
] | [
1,
1,
1
] | -1.851929 | 0 | 0 | 166 | 166 | [
"As",
"Se",
"Sm"
] |
mp-1072114 | mp-1072114 | HoOF | # generated using pymatgen
data_HoOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69814033
_cell_length_b 6.69814033
_cell_length_c 6.69814029
_cell_angle_alpha 32.98464454
_cell_angle_beta 32.98464454
_cell_angle_gamma 32.98464425
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho... | # generated using pymatgen
data_HoOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80302801
_cell_length_b 3.80302801
_cell_length_c 18.98411670
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3763419871381921,
0.8411061865913486,
2.0494002126214768
],
[
3.933680841591277,
2.4039398077347767,
6.807999362257851
],
[
2.0092064379346564,
1.2278605033331191,
6.6099741394220395
],
[
3.3008163907948123,
2.0171854909930054,
2.2474254354572887
],
... | [
[
3.6465630371109232,
0,
1.0796296424396632
],
[
1.6634597916185454,
3.2450459943261247,
1.0796296424396632
],
[
0,
0,
6.69814029
]
] | [
67,
67,
8,
8,
9,
9
] | [
1,
1,
1
] | -4.281126 | 5.0867 | 0 | 166 | 166 | [
"F",
"Ho",
"O"
] |
mp-11567 | mp-11567 | ScZn12 | # generated using pymatgen
data_ScZn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75675960
_cell_length_b 6.75675960
_cell_length_c 6.75675960
_cell_angle_alpha 98.33723087
_cell_angle_beta 98.33723087
_cell_angle_gamma 135.23505112
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ScZn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83561400
_cell_length_b 8.83561400
_cell_length_c 5.14578000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.3790550313500263,
3.003732178545308e-16,
4.358104303619095
],
[
5.947637577812993,
3.123861286163035,
9.20607085881627
],
[
3.5685825464629666,
3.1238612861630344,
1.4695867551971746
],
[
2.37905503022588,
6.24772257232607,
... | [
[
4.758110062700053,
0,
1.959449007238191
],
[
2.37905503022588,
6.24772257232607,
0.9797245031561586
],
[
0,
0,
6.7567596
]
] | [
21,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.136576 | 0 | 0 | 139 | 139 | [
"Sc",
"Zn"
] |
mp-1078876 | mp-1078876 | ErSnIr | # generated using pymatgen
data_ErSnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48412579
_cell_length_b 7.48412579
_cell_length_c 3.91467600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999815
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErSnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48412579
_cell_length_b 7.48412579
_cell_length_c 3.91467600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9573380000000016,
3.8424911820970267,
5.265662388945099
],
[
1.9573380000000011,
2.638951997987188,
1.523599532805683
],
[
1.9573380000000025,
6.481443180084215,
0.6948634496958812
],
[
6.429823345289367e-16,
1.679432668164341,
-0.969620939201544
],
... | [
[
3.914676,
0,
2.397047716549482e-16
],
[
2.4814650483143973e-15,
6.481443180084215,
-3.7420631042766686
],
[
0,
0,
7.48412579
]
] | [
68,
68,
68,
50,
50,
50,
77,
77,
77
] | [
1,
1,
1
] | -0.851636 | 0 | 0 | 189 | 189 | [
"Er",
"Ir",
"Sn"
] |
mp-20584 | mp-20584 | RbEuS2 | # generated using pymatgen
data_RbEuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02788273
_cell_length_b 8.02788273
_cell_length_c 8.02788324
_cell_angle_alpha 30.71770020
_cell_angle_beta 30.71770020
_cell_angle_gamma 30.71769729
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbEuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25258827
_cell_length_b 4.25258827
_cell_length_c 22.92964482
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.9981884097676152,
1.81812272921729,
5.140298148526776
],
[
4.607981727116863,
2.7943128212340955,
7.307426301055511
],
[
1.388395092418368,
0.8419326372004843,
2.9731699959980413
]
] | [
[
4.100710935612726,
0,
1.1263565285267745
],
[
1.8956658839225053,
3.63624545843458,
1.1263565285267745
],
[
0,
0,
8.02788324
]
] | [
37,
63,
16,
16
] | [
1,
1,
1
] | -1.766068 | 0 | 0.008869 | 166 | 166 | [
"Eu",
"Rb",
"S"
] |
mp-1214934 | mp-1214934 | AgRhF6 | # generated using pymatgen
data_AgRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23686800
_cell_length_b 5.25949532
_cell_length_c 10.40963128
_cell_angle_alpha 75.70655987
_cell_angle_beta 75.78429205
_cell_angle_gamma 60.19828287
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AgRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23686800
_cell_length_b 5.25949532
_cell_length_c 10.40963128
_cell_angle_alpha 75.70655987
_cell_angle_beta 75.78429205
_cell_angle_gamma 60.19828287
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.7220479007722513,
2.2566947674234124,
6.497086056544391
],
[
0,
0,
0
],
[
5.502653657114299,
3.4567012367798817,
9.733685458045866
],
[
1.9414421444302035,
1.0566882980669432,
3.2604866550429152
],
[
4.25283284700459,
3.623258850784334,
... | [
[
5.076504948117473,
0,
1.2860341990642448
],
[
2.36759085342703,
4.513389534846825,
1.2985066340245377
],
[
0,
0,
10.40963128
]
] | [
47,
47,
45,
45,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.709494 | 0 | 0 | 2 | 2 | [
"Ag",
"F",
"Rh"
] |
mp-866285 | mp-866285 | ErSnRu2 | # generated using pymatgen
data_ErSnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65603652
_cell_length_b 4.65603652
_cell_length_c 4.65603652
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErSnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58462999
_cell_length_b 6.58462999
_cell_length_c 6.58462999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6881639381787297,
1.900818949627313,
4.656036520000001
],
[
0,
0,
0
],
[
4.032245907268093,
2.8512284244409702,
6.98405478
],
[
1.3440819690893655,
0.950409474813656,
2.32801826
]
] | [
[
4.032245907268092,
0,
2.3280182600000003
],
[
1.3440819690893642,
3.8016378992546276,
2.3280182600000003
],
[
0,
0,
4.65603652
]
] | [
68,
50,
44,
44
] | [
1,
1,
1
] | -0.393894 | 0 | 0 | 225 | 225 | [
"Er",
"Sn",
"Ru"
] |
mp-1103472 | mp-1103472 | Na2UF8 | # generated using pymatgen
data_Na2UF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61520892
_cell_length_b 6.61520892
_cell_length_c 6.61520892
_cell_angle_alpha 130.45829248
_cell_angle_beta 130.45829248
_cell_angle_gamma 72.67516422
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2UF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54341600
_cell_length_b 5.54341600
_cell_length_c 10.65762799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5070838697001023,
1.2294845023914571,
0.9849672408536542
],
[
0.4545108757375853,
3.688453507174372,
0.9849672408577993
],
[
0,
0,
0
],
[
-0.183477566486658,
3.253594674554533,
3.2880970451426936
],
[
3.2180432951129454,
0.5135261690208546,... | [
[
5.0333703666813605,
0,
-2.3226372191484184
],
[
-1.071775621243673,
4.917938009565829,
-2.3226372191401277
],
[
0,
0,
6.61520892
]
] | [
11,
11,
92,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.44679 | 2.5957 | 0 | 139 | 139 | [
"F",
"Na",
"U"
] |
mp-1027576 | mp-1027576 | TeMo2Se2S | # generated using pymatgen
data_TeMo2Se2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34361069
_cell_length_b 3.34361069
_cell_length_c 41.75879000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001370
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TeMo2Se2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34361069
_cell_length_b 3.34361069
_cell_length_c 41.75879000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7232104640920861e-16,
1.930434665185315,
24.037612287699993
],
[
1.7232104640920861e-16,
1.930434665185315,
20.239900889939996
],
[
1.6718049988101822,
0.9652173325926574,
37.84386167871
],
[
1.6718049988101822,
0.9652173325926574,
22.13950824704
],
... | [
[
3.343609997620364,
0,
9.471676250041421e-16
],
[
-1.6718049988101824,
2.895651997777972,
2.0473710645516867e-16
],
[
0,
0,
41.75879
]
] | [
52,
52,
42,
42,
42,
42,
34,
34,
34,
34,
16,
16
] | [
1,
1,
1
] | -0.893975 | 0.2997 | 0.039453 | 156 | 156 | [
"Mo",
"S",
"Se",
"Te"
] |
mp-29153 | mp-29153 | Zr2NiP | # generated using pymatgen
data_Zr2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64904100
_cell_length_b 5.26774900
_cell_length_c 7.49056456
_cell_angle_alpha 69.72275165
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26774900
_cell_length_b 3.64904100
_cell_length_c 7.49056456
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.27724835
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.73678075,
1.3951333679652136,
0.04297579284350443
],
[
0.9122602499999998,
3.5461554518533527,
5.62198083385399
],
[
2.7367807499999994,
3.8510774436355364,
2.848653390492146
],
[
0.9122602499999999,
1.0902113761830294,
2.8163032362053486
],
[
... | [
[
3.649041,
0,
2.2343931903037286e-16
],
[
-3.0256667684267047e-16,
4.941288819818566,
-1.8256079333025048
],
[
0,
0,
7.49056456
]
] | [
40,
40,
40,
40,
28,
28,
15,
15
] | [
1,
1,
1
] | -0.992439 | 0 | 0 | 11 | 11 | [
"Zr",
"Ni",
"P"
] |
mp-1188539 | mp-1188539 | Sr3Tl5 | # generated using pymatgen
data_Sr3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88907664
_cell_length_b 6.88907664
_cell_length_c 11.58553200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.83969661
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.59217800
_cell_length_b 10.77088599
_cell_length_c 11.58553200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.260899966059889,
4.087762356711986,
2.896383000000002
],
[
2.097258069221713,
2.629057216383659,
8.689149
],
[
0.21020169196545085,
5.327888754492636,
11.585532
],
[
0.21020169196545085,
5.327888754492636,
5.792766
],
[
5.147956343316152,
1... | [
[
6.88907664,
0,
4.2183428281284016e-16
],
[
-1.5309186047183982,
6.716819573095645,
4.2183428281284016e-16
],
[
0,
0,
11.585532
]
] | [
38,
38,
38,
38,
38,
38,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | -0.352842 | 0 | 0.008628 | 63 | 63 | [
"Sr",
"Tl"
] |
mp-570188 | mp-570188 | ZrI3 | # generated using pymatgen
data_ZrI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66040900
_cell_length_b 8.12532400
_cell_length_c 14.08771100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZrI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66040900
_cell_length_b 8.12532400
_cell_length_c 14.08771100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
1.5768185287049996,
6.112640618580001,
7.043855500000001
],
[
5.0835904712949995,
6.112640618580001,
7.043855500000001
],
[
1.7533859712949997,
2.0126833814200005,
2.306052389084685e-16
],
[
4.907023028705,
2.0126833814200005,
4.2370981530995013e-16
],... | [
[
6.660409,
0,
4.0783242814311113e-16
],
[
-4.975326014317585e-16,
8.125324,
4.975326014317585e-16
],
[
0,
0,
14.087711
]
] | [
40,
40,
40,
40,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.246911 | 0.197 | 0 | 59 | 59 | [
"I",
"Zr"
] |
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