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-772976
8.437795
14.863763
-1.017929
other
Li8Mn15Ni1O32
56
155
587.32
mp-1030354
-8.831743
2.817393
-4.347311
other
Te4Mo3W1S4
12
156
403.01
mp-1030240
-8.814356
2.817882
-4.35701
other
Te4Mo3W1S4
12
156
373.96
mp-1028887
-8.330742
3.09572
-5.553771
other
Te2W4Se4S2
12
156
368.78
mp-1029037
-6.141873
2.329833
-5.416794
other
Mo1W3Se2S6
12
156
326.88
mp-1030613
-9.818576
2.686077
-4.199546
other
Te4Mo2W2Se4
12
156
400.2
mp-772977
10.91446
10.928578
0.204255
other
Ba10Li1W7O30
48
156
752.63
mp-1030695
-9.767931
2.672726
-4.208192
other
Te4Mo2W2Se4
12
156
400.94
mp-2225867
13.794244
9.063533
-1.604031
other
Mg1Fe1H1O2
5
156
60.59
mp-1027600
-5.804336
1.880963
-4.753659
other
Mo3W1Se2S6
12
156
326.44
mp-1028433
-10.112215
2.476993
-4.17121
other
Te6Mo1W3Se2
12
156
420.54
mp-1029144
-9.8414
2.675224
-4.179107
other
Te4Mo2W2Se4
12
156
400.55
mp-1027169
-9.343144
3.148702
-4.882692
other
Te4Mo1W3S4
12
156
396.55
mp-1220428
-2.937325
0.280405
0.100054
other
Nb4Cu1C2S4
11
156
176.61
mp-1025781
-10.056434
2.643122
-3.84569
other
Te4Mo2W1Se2
9
156
335.28
mp-1030337
-9.553611
2.41083
-3.777988
other
Te6Mo3W1S2
12
156
405.63
mp-1220987
-4.721998
-1.123561
-5.47332
other
Na1Li1Mn1S2
5
156
82.6
mp-1030239
-9.768756
2.674672
-4.207469
other
Te4Mo2W2Se4
12
156
400.57
mp-2228952
7.385038
12.84144
-1.459676
other
Mg1Co4Ag4O8
17
156
217.28
mp-1227883
13.205037
5.57575
-5.856536
other
Ba2Na2P2O8
14
156
205.58
mp-1030505
-8.905064
2.702226
-4.853213
other
Te2Mo1W3Se6
12
156
381.09
mp-1029245
-9.788341
2.655829
-4.214446
other
Te4Mo2W2Se4
12
156
400
mp-1028653
-9.944036
2.668892
-4.425791
other
Te4Mo1W3Se4
12
156
400.8
mp-1029950
-9.202379
3.083343
-4.642427
other
Te4Mo2W2S4
12
156
393.22
mp-1026015
-7.469241
3.296969
-5.36728
other
Te2Mo2W1S4
9
156
288.72
mp-1028828
-9.817222
2.682157
-4.196898
other
Te4Mo2W2Se4
12
156
400.46
mp-1029232
-6.11484
2.291362
-5.380009
other
Mo1W3Se2S6
12
156
327.14
mp-1030448
-10.187728
2.548461
-4.220261
other
Te6Mo1W3Se2
12
156
420.93
mp-571414
5.333299
-0.414559
-2.998133
other
K1Na1B2H8
12
156
139.75
mp-1028748
-8.904235
2.701614
-4.854286
other
Te2Mo1W3Se6
12
156
381.39
mp-1027624
-6.063574
2.245
-5.079792
other
Mo2W2Se2S6
12
156
327.15
mp-1028468
-7.878837
3.363482
-5.854798
other
Te2W4Se2S4
12
156
357.02
mp-1030614
-9.891946
2.522856
-3.786606
other
Te6Mo3W1Se2
12
156
419.84
mp-1025682
-10.221404
2.546839
-4.050126
other
Te4Mo1W2Se2
9
156
318.83
mp-1226884
11.569982
7.232064
-1.344769
other
Cd3Si2Pb3O10
18
156
275.17
mp-1030573
-9.359908
2.672049
-4.062936
other
Te4Mo3W1Se4
12
156
400.05
mp-1228653
7.077544
10.968801
0.879637
other
Ba6Co3Ru3O18
30
156
414.18
mp-1218982
-5.324057
-4.228079
0.44765
other
Sm1Zn1Cu1As2
5
156
101.68
mp-1030454
-10.001542
2.695435
-4.440789
other
Te4Mo1W3Se4
12
156
401.62
mp-1025841
-6.506165
2.216667
-4.911379
other
Mo2W1Se4S2
9
156
280.88
mp-1026974
-6.783402
2.134343
-5.022879
other
Mo2W2Se6S2
12
156
349.75
mp-1023932
-9.224514
3.058905
-4.659486
other
Te2Mo1W1S2
6
156
233.22
mp-1220967
-3.856066
-1.568692
-5.610571
other
Na1Li1Cd1S2
5
156
105.4
mp-1028743
-8.304582
3.083459
-5.567983
other
Te2W4Se4S2
12
156
369.63
mp-1027652
-7.29254
3.244769
-5.438456
other
Te2Mo2W2S6
12
156
345.58
mp-1221443
-7.162679
-1.444048
3.687242
other
Mo1Pd1Ru1Rh1
4
156
59.66
mp-1029075
-10.109606
2.556316
-4.008582
other
Te6Mo2W2Se2
12
156
420.54
mp-1215539
-5.947369
-5.326592
0.759192
other
Yb1Mn2Bi1Sb1
5
156
134.48
mp-1027894
-6.202301
2.194726
-4.902982
other
Mo3W1Se4S4
12
156
382.41
mp-1027058
-9.188201
3.096744
-4.66309
other
Te4Mo2W2S4
12
156
391.51
mp-2227053
10.054313
11.933525
-0.61426
other
Mg1Ni1H1O2
5
156
45.86
mp-1030605
-8.163897
2.346582
-4.422499
other
Te2Mo3W1Se6
12
156
380.92
mp-1025934
-5.974848
2.0979
-4.93104
other
Mo2W1Se2S4
9
156
269.89
mp-764671
10.839122
12.302317
0.295402
other
Li1Mn7O7F1
16
156
225.77
mp-2226142
-3.21437
-1.339314
-5.433378
other
Ba2Mg1Ti2S6
11
156
269.64
mp-1028768
-10.044186
2.702586
-4.426766
other
Te4Mo1W3Se4
12
156
401.33
mp-1025851
-7.780635
3.522163
-5.814334
other
Te2Mo1W2S4
9
156
288.93
mp-1223586
11.975692
6.686934
-1.203252
other
K1Al1Si3O9
14
156
198.74
mp-1030615
-9.405372
2.682444
-4.05835
other
Te4Mo3W1Se4
12
156
400.08
mp-2224223
9.659384
13.245754
-0.597414
other
Mg1Fe2Cu2O4
9
156
107.27
mp-1029043
-6.923069
2.134387
-5.288825
other
Mo1W3Se6S2
12
156
349.88
mp-1025729
-10.260765
2.605365
-4.105297
other
Te4Mo1W2Se2
9
156
336.19
mp-1026927
-6.187569
2.224619
-4.898059
other
Mo3W1Se4S4
12
156
337.6
mp-1175227
3.385489
23.283283
-1.464506
other
Li7Mn2Co3O12
24
156
222.51
mp-1030391
-9.223263
3.092289
-4.646779
other
Te4Mo2W2S4
12
156
374.27
mp-1026910
-6.347711
2.311557
-5.19361
other
Mo2W2Se4S4
12
156
338.09
mp-1030101
-9.944763
2.670483
-4.427681
other
Te4Mo1W3Se4
12
156
400.87
mp-1027671
-6.362586
2.340597
-5.207819
other
Mo2W2Se4S4
12
156
337.77
mp-1215514
-3.876634
-3.688903
0.697462
other
Yb1Mn1Cu1P2
5
156
85.83
mp-1025648
-7.814849
3.481928
-5.758775
other
Te2Mo1W2S4
9
156
287.22
mp-1027658
-8.182207
2.398919
-4.411605
other
Te2Mo3W1Se6
12
156
381.4
mp-558498
2.348682
2.399197
1.365599
other
Zn8Ga8N8O8
32
156
390.65
mp-1216715
-4.1664
-0.748208
2.98454
other
Ti1Nb3Al2C2
8
156
116.71
mp-1023930
-6.353174
2.291237
-5.159673
other
Mo1W1Se2S2
6
156
211.51
mp-2223890
-6.124741
1.880374
-4.63743
other
Mg1Mo3Se4S2
10
156
340.14
mp-1030136
-10.051476
2.498081
-4.137776
other
Te6Mo1W3S2
12
156
406.78
mp-1027115
-6.116568
2.294049
-5.379656
other
Mo1W3Se2S6
12
156
327.54
mp-979137
-4.031073
-5.279973
5.184527
other
Sr1Ga1Si1H1
4
156
75.66
mp-1227998
2.320023
2.261298
1.945742
other
Al1Si1C1N1
4
156
42.34
mp-1219728
-3.558125
-3.903824
0.873541
other
Pr1Zn1Ag1P2
5
156
104.5
mp-1030536
-6.460091
2.347515
-5.52049
other
Mo1W3Se4S4
12
156
340.17
mp-2239931
-6.152906
1.914016
-4.64999
other
Mg1Mo3Se4S2
10
156
337.73
mp-1025891
-9.634059
2.510289
-3.850056
other
Te4Mo2W1S2
9
156
321.9
mp-1029281
-10.064942
2.493969
-3.970683
other
Te6Mo2W2Se2
12
156
419.65
mp-1028531
-8.588437
2.554026
-4.612132
other
Te2Mo2W2Se6
12
156
381.33
mp-2229688
7.329149
12.799003
-1.473724
other
Mg1Co4Ag4O8
17
156
218.02
mp-1028757
-7.882729
3.345943
-5.85908
other
Te2W4Se2S4
12
156
356.61
mp-1027376
-6.346692
2.309189
-5.191379
other
Mo2W2Se4S4
12
156
338.01
mp-1030333
-9.606008
2.427609
-3.822205
other
Te6Mo3W1S2
12
156
406.62
mp-1224059
-7.234554
-4.187423
3.31315
other
Hf2Co1Cu1Sn2
6
156
111.21
mp-1027612
-6.948916
2.973966
-5.140933
other
Te2Mo3W1S6
12
156
353.88
mp-568177
-4.072709
-5.230648
5.382898
other
Ca1Al1Si1H1
4
156
69.85
mp-2232187
11.746189
10.788993
-1.653231
other
Mg1Tl4W2O8
15
156
347.9
mp-1030566
-6.398685
2.279423
-5.44516
other
Mo1W3Se4S4
12
156
324.9
mp-1235624
9.82109
8.582021
-1.318757
other
Li1Al2Cu2O6
11
156
106.35
mp-1025779
-8.608431
2.560818
-4.537328
other
Te2Mo2W1Se4
9
156
313.8
mp-1027473
-6.169934
2.169355
-4.874106
other
Mo3W1Se4S4
12
156
338.64
mp-1027267
-6.170307
2.206383
-4.877284
other
Mo3W1Se4S4
12
156
337.82
mp-1215694
-5.273539
-4.252132
0.504241
other
Y1Zn1Cu1As2
5
156
98.93
mp-2225592
-4.823802
-1.120903
-5.618162
other
Mg1Fe1Cu1S2
5
156
77.72