mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1028812
-9.339668
3.149151
-4.896903
other
Te4Mo1W3S4
12
156
375.11
mp-1027341
-9.187442
3.097186
-4.665343
other
Te4Mo2W2S4
12
156
390.39
mp-1225396
-3.681484
-3.76701
0.801
other
Er1Zn1Cu1P2
5
156
88.45
mp-1221665
1.565391
2.40792
1.32653
other
Mn1In1As1N1
4
156
76.44
mp-1222238
-4.001314
-1.216259
-5.807274
other
Mg2Ti1Ga3S8
14
156
304.03
mp-1221585
12.174996
11.074523
-2.234699
other
Na2In2Mo5O16
25
156
357.7
mp-1029322
-9.937512
2.521881
-3.978039
other
Te6Mo2W2S2
12
156
407.11
mp-1027547
-7.58275
2.51704
-4.553344
other
Te2Mo4Se4S2
12
156
368.54
mp-760368
10.9091
12.281376
0.379287
other
Li1Mn5O5F1
12
156
168.27
mp-1027471
-6.943307
2.68602
-4.888824
other
Te2Mo4Se2S4
12
156
355.99
mp-1027706
-6.930554
2.953133
-5.112866
other
Te2Mo3W1S6
12
156
345.65
mp-1025932
-7.473266
3.258749
-5.321451
other
Te2Mo2W1S4
9
156
287.65
mp-1028947
-6.487505
2.372396
-5.524065
other
Mo1W3Se4S4
12
156
367.99
mp-1027931
-9.597587
2.432195
-3.817869
other
Te6Mo3W1S2
12
156
404.06
mp-2218625
-5.882208
1.871632
-4.914311
other
Mg1Mo2W2S8
13
156
385.68
mp-1030508
-9.794177
2.667822
-4.190133
other
Te4Mo2W2Se4
12
156
400.75
mp-1029166
-9.328591
3.14656
-4.885476
other
Te4Mo1W3S4
12
156
389.21
mp-1030270
-7.28548
3.228951
-5.42773
other
Te2Mo2W2S6
12
156
344.26
mp-1008506
-3.918024
-5.312913
4.931304
other
Ba1Ga1Si1H1
4
156
83.73
mp-1027916
-6.963103
2.97716
-5.14395
other
Te2Mo3W1S6
12
156
359.08
mp-2224719
-5.855789
1.767785
-4.923989
other
Mg1Mo1W1S4
7
156
250.78
mp-1030739
-9.806828
2.700279
-4.169629
other
Te4Mo2W2Se4
12
156
401.93
mp-1030269
-8.828892
2.817326
-4.342951
other
Te4Mo3W1S4
12
156
373.75
mp-1030375
-10.058084
2.489469
-3.961841
other
Te6Mo2W2Se2
12
156
429.59
mp-1025705
-9.062457
2.73399
-4.83681
other
Te2Mo1W2Se4
9
156
314.96
mp-1029252
-10.067042
2.495108
-3.97103
other
Te6Mo2W2Se2
12
156
419.61
mp-1025578
-8.388953
3.330715
-5.765851
other
Te2W3Se2S2
9
156
301.17
mp-1080168
-6.370018
2.342045
-5.223703
other
Mo2W2Se4S4
12
156
333.77
mp-1027129
-6.171696
2.171822
-4.874905
other
Mo3W1Se4S4
12
156
338.52
mp-978852
-6.035702
-6.761334
3.245926
other
Sr1Ga1Sn1H1
4
156
90.08
mp-1219081
-4.097898
-0.219138
-3.484632
other
Ta10Cr2Ni2S20
34
156
602.13
mp-1027475
-7.264276
3.206927
-5.417622
other
Te2Mo2W2S6
12
156
354.04
mp-1028976
-9.290567
3.083971
-4.888582
other
Te4Mo1W3S4
12
156
374.3
mp-1030146
-6.068332
2.265718
-5.094838
other
Mo2W2Se2S6
12
156
326.64
mp-1027109
-6.595838
2.12162
-4.71849
other
Mo3W1Se6S2
12
156
353.14
mp-1226509
-3.728679
-3.791857
0.806017
other
Ce1Zn1Cu1P2
5
156
92.38
mp-1028590
-9.772128
2.609931
-4.575391
other
Te4W4Se2S2
12
156
388.01
mp-1028912
-9.698736
2.598556
-4.610472
other
Te4W4Se2S2
12
156
390.89
mp-1226468
-3.614481
-3.904659
0.937116
other
Ce1Zn1Ag1P2
5
156
101.55
mp-1025866
-6.505548
2.194393
-4.885393
other
Mo2W1Se4S2
9
156
281.17
mp-1027294
-5.852514
1.92114
-4.773545
other
Mo3W1Se2S6
12
156
326.47
mp-1030722
-8.151239
2.337039
-4.426414
other
Te2Mo3W1Se6
12
156
381.19
mp-1030682
-10.107702
2.555475
-4.008564
other
Te6Mo2W2Se2
12
156
420.28
mp-1218973
-5.303783
-4.593561
0.357787
other
Sm1Zn1Ag1As2
5
156
110.8
mp-1025743
-9.644999
2.498433
-3.848799
other
Te4Mo2W1S2
9
156
322.76
mp-1026979
-7.562472
2.535823
-4.583327
other
Te2Mo4Se4S2
12
156
368.19
mp-1028679
-9.747851
2.608215
-4.594106
other
Te4W4Se2S2
12
156
388.49
mp-1228124
9.614313
10.62551
3.101906
other
Ba6Ti5Pt1O18
30
156
413.82
mp-1222311
-5.797395
-3.462096
-2.172897
other
Li1Ge1Sb1Te3
6
156
170.62
mp-1027036
-10.090494
2.52932
-4.1711
other
Te6Mo1W3S2
12
156
408.16
mp-2218725
-5.887061
1.891929
-4.901426
other
Mg1Mo2W2S8
13
156
391.52
mp-1030120
-9.922585
2.656204
-4.417525
other
Te4Mo1W3Se4
12
156
400.71
mp-1029031
-6.434358
2.328211
-5.502779
other
Mo1W3Se4S4
12
156
339.11
mp-1175207
3.443886
23.398409
-1.425992
other
Li7Mn2Co3O12
24
156
219.49
mp-1028434
-8.591472
2.55468
-4.614796
other
Te2Mo2W2Se6
12
156
381.45
mp-1223923
-2.80214
0.140501
2.873195
other
Hf2Fe1C2S1
6
156
112.1
mp-1025898
-7.795359
3.553961
-5.820949
other
Te2Mo1W2S4
9
156
288.36
mp-2224449
9.669209
12.695258
-0.396908
other
Mg1Fe1H1O2
5
156
50.04
mp-1027303
-7.287201
3.227147
-5.426882
other
Te2Mo2W2S6
12
156
344.38
mp-1027780
-6.966807
2.998945
-5.138965
other
Te2Mo3W1S6
12
156
338.78
mp-1217281
11.519217
8.499297
3.011537
other
Th2As1N1O1
5
156
100
mp-1028520
-9.291379
3.076475
-4.869773
other
Te4Mo1W3S4
12
156
390.71
mp-558632
10.29842
4.294213
-6.999961
other
K2Na2S2O8
14
156
204.69
mp-1029143
-9.940993
2.563097
-3.769842
other
Te6Mo3W1Se2
12
156
402.42
mp-1027550
-6.948956
2.685769
-4.888849
other
Te2Mo4Se2S4
12
156
356.45
mp-1026969
-9.20892
3.075005
-4.629459
other
Te4Mo2W2S4
12
156
375.62
mp-1027150
-6.343684
2.310359
-5.183269
other
Mo2W2Se4S4
12
156
338.16
mp-1030509
-8.588419
2.550809
-4.614344
other
Te2Mo2W2Se6
12
156
381.3
mp-1027375
-9.208567
3.098027
-4.665347
other
Te4Mo2W2S4
12
156
374.73
mp-1028541
-6.809356
2.15344
-5.037617
other
Mo2W2Se6S2
12
156
355.29
mp-1027551
-6.159531
2.189399
-4.867885
other
Mo3W1Se4S4
12
156
338.17
mp-1025941
-6.01324
2.145229
-4.95603
other
Mo2W1Se2S4
9
156
268.13
mp-1027355
-8.809034
2.818363
-4.353071
other
Te4Mo3W1S4
12
156
393.97
mp-1215873
10.639648
10.621042
2.738742
other
Zr2Ti1Pb3O9
15
156
216.3
mp-2215789
12.117667
7.699561
-0.440639
other
Mg1Al2Cu2O6
11
156
111.79
mp-850339
10.038745
0.611616
0.945318
other
Li20Co4O4F20
48
156
531.06
mp-1023945
-9.838933
2.729285
-4.178216
other
Te2Mo1W1Se2
6
156
250.62
mp-1027795
-5.857537
1.914571
-4.775126
other
Mo3W1Se2S6
12
156
333.72
mp-1030156
-9.416043
2.745229
-4.042569
other
Te4Mo3W1Se4
12
156
400.84
mp-1028931
-9.794844
2.669242
-4.188591
other
Te4Mo2W2Se4
12
156
400.54
mp-1025657
-9.605308
2.482825
-3.835589
other
Te4Mo2W1S2
9
156
321
mp-1028952
-6.923837
2.146481
-5.316108
other
Mo1W3Se6S2
12
156
349.78
mp-1207108
-5.855596
-6.147524
3.926982
other
Ba1Al1Ge1H1
4
156
87.32
mp-1030419
-9.959391
2.521414
-4.004063
other
Te6Mo2W2S2
12
156
407.49
mp-1028979
-8.561309
2.481422
-4.59501
other
Te2Mo2W2Se6
12
156
380.69
mp-1218144
-3.796814
-0.002953
-3.110384
other
Ta2Fe1Re2Se8
13
156
272.21
mp-1027159
-6.263669
2.217019
-5.114828
other
Mo2W2Se4S4
12
156
325.55
mp-2223086
-4.842412
0.039173
-4.815173
other
Mg1V2Au2S4
9
156
154.27
mp-1027328
-6.132164
2.312382
-5.388447
other
Mo1W3Se2S6
12
156
327.15
mp-2217804
10.717841
9.909231
1.883586
other
Y2Mg1Mn2O6
11
156
152.63
mp-1215504
-5.94902
-3.212638
-2.665447
other
Zn1Cd1Te1Se1
4
156
119.53
mp-1027141
-6.777971
2.125335
-5.01057
other
Mo2W2Se6S2
12
156
351.21
mp-1029062
-6.408793
2.30901
-5.474739
other
Mo1W3Se4S4
12
156
338.56
mp-1221006
-5.364697
-2.491474
-3.936808
other
Na1Fe1Cu1Se2
5
156
100.93
mp-1030408
-9.435367
2.734791
-4.019019
other
Te4Mo3W1Se4
12
156
400.7
mp-1027486
-9.196514
3.087101
-4.648691
other
Te4Mo2W2S4
12
156
392.38
mp-1080171
-8.88465
2.69095
-4.858876
other
Te2Mo1W3Se6
12
156
382.55
mp-570485
-4.019633
-5.252014
5.311973
other
Sr1Al1Si1H1
4
156
76.91
mp-755288
-4.917821
-1.045683
-5.487227
other
Li1Fe1Cu1S2
5
156
78.57
mp-1029243
-8.56935
2.489783
-4.59277
other
Te2Mo2W2Se6
12
156
380.09