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-1220105
-7.881732
-3.510596
2.616871
other
Ni3Sn4Pt2
9
156
163.19
mp-1224353
-5.737279
-1.454247
3.74122
other
Hf3Ge1Mo8
12
156
213.84
mp-1215800
-7.296391
1.519931
-4.699369
other
Zn1W2Se4
7
156
170.52
mp-34978
13.072092
8.674996
-0.143518
other
Al12Fe6O24
42
156
420.72
mp-1014251
1.735824
1.857836
2.331541
other
Hf1Zn1N2
4
156
47.98
mp-1049295
11.504338
13.077806
-0.102097
other
Mg6Cr12O24
42
156
456.04
mp-1019323
2.460085
2.011425
1.785787
other
Th2H1N3
6
156
86.36
mp-2225358
-4.832709
0.258589
-4.687942
other
Mg1V2S4
7
156
129.75
mp-1216178
-7.978225
-5.336881
5.513074
other
Y6Ga8Cu4
18
156
355.37
mp-1216081
-7.892637
-5.178025
5.608736
other
Y2Ga3Cu1
6
156
118.44
mp-1023931
-9.247702
2.874325
-4.811203
other
Te2W2S2
6
156
234.3
mp-1023953
-5.813231
1.738521
-4.590274
other
Mo2Se2S2
6
156
202.88
mp-1220673
-6.304674
-1.043337
4.205621
other
Nb3Cr8Si1
12
156
162.09
mp-675586
13.678729
9.009987
-1.098765
other
Fe12Si6O24
42
156
446.9
mp-1215436
-4.90132
-1.150261
-5.97382
other
Zn2Fe1S3
6
156
120.05
mp-1044582
9.729852
8.662594
-0.03195
other
Mg6Bi12O24
42
156
674.92
mp-1218090
-6.987699
0.055352
4.344212
other
Ta3Al1Fe8
12
156
151.83
mp-1220696
-4.052965
-0.068421
-3.840641
other
Nb2Ag1S4
7
156
136.02
mp-1228894
2.388851
2.117117
1.844844
other
Al1Ga1N2
4
156
43.67
mp-1226679
-7.300998
-1.116871
4.998891
other
Ce1Zr3Mn8
12
156
181.06
mp-1028749
-9.925502
2.584239
-4.499307
other
Te4W4Se4
12
156
401.13
mp-1218037
-6.871856
0.009044
4.228707
other
Ta3Fe8Si1
12
156
152.6
mp-1217334
-6.489504
2.446095
-4.869336
original
Te1Mo2S3
6
156
127.29
mp-530567
13.04357
8.699701
-0.115545
other
Al24Fe12O48
84
156
843.05
mp-675902
-4.576699
-3.778628
-3.916774
other
Y1Cu1Se2
4
156
92.31
mp-1219982
-8.170405
-6.305799
5.208408
other
Pr2In3Cu1
6
156
158.39
mp-1044628
6.984968
9.615297
-1.706495
other
Zn6Ag12O24
42
156
548.15
mp-531238
11.346718
8.226493
-0.556542
other
Cd12Ga24O48
84
156
1,006.08
mp-1224282
-4.319497
-1.341644
-3.657957
other
Hf1Se1S1
3
156
74.57
mp-1048964
11.355184
12.78354
0.041131
other
Ca6Cr12O24
42
156
516.82
mp-1217694
-7.8947
-4.960851
5.573658
other
Tb2Ga3Cu1
6
156
118.66
mp-1225878
-7.382764
-6.752725
4.01209
other
Er6Ag4Pb8
18
156
490.61
mp-1028762
-8.867014
2.588432
-4.995469
other
Te2W4Se6
12
156
381.58
mp-1027580
-5.806849
1.741878
-4.581944
other
Mo4Se4S4
12
156
325.64
mp-685330
8.919153
14.74197
-0.997727
other
Mn12Cu6O24
42
156
470.04
mp-1217257
-6.051383
-2.676316
-1.18908
other
Te1Pt1Se1
3
156
70.65
mp-1027696
-6.504018
2.492643
-4.894093
other
Te2Mo4S6
12
156
345.62
mp-1023928
-7.183986
1.670384
-4.492934
other
Mo1W1Se4
6
156
217.24
mp-2210697
-3.852003
-0.760991
-4.894157
other
Mg1Ti1S2
4
156
74.1
mp-674336
12.618217
7.78222
-0.295867
other
Al12Co6O24
42
156
411.26
mp-2219131
-4.842229
-1.381189
-5.765811
other
Mg1Cu6S6
13
156
220.3
mp-1044895
6.966126
9.570724
-1.554067
other
Mg6Ag12O24
42
156
548.35
mp-1215562
10.118279
8.905403
0.030463
other
Zn3Cd1O4
8
156
108.06
mp-10231
-5.172757
-2.534411
-3.799097
other
Li1Mn1Se2
4
156
90.75
mp-22253
-4.074313
-1.321511
-5.917629
other
Zn1In2S4
7
156
168.85
mp-1025922
-5.705417
1.810332
-4.70651
other
Mo2W1S6
9
156
245.01
mp-1029246
-6.073824
2.264702
-5.214886
other
Mo1W3S8
12
156
304.78
mp-1008526
3.448377
2.43506
0.340294
other
B2C1N1
4
156
25.41
mp-1227007
9.711924
8.8924
1.137815
other
Ca1Zn1O2
4
156
60.43
mp-1218133
-6.915845
-0.672617
3.867828
other
Ta3Co8Si1
12
156
149.54
mp-530670
-5.572806
-5.476282
0.797408
other
Li34Y13Sb26
73
156
1,641.8
mp-1215784
-4.612801
-1.695842
-6.473631
other
Zn8Cd2S10
20
156
432.05
mp-1041156
6.802525
13.42139
-1.713857
other
Zn6Co12O24
42
156
451.35
mp-1026020
-6.885604
2.775865
-5.004593
other
Te2Mo3S4
9
156
287.48
mp-1221664
-6.066381
-3.324552
-2.300502
original
Mn1Cd2Te3
6
156
205.29
mp-1225283
-6.049894
-3.449696
-1.797546
other
Dy1Cu1Te2
4
156
112.28
mp-1025678
-9.53577
2.062403
-3.984938
other
Te6Mo1W2
9
156
356.47
mp-532094
12.622154
7.784658
-0.30653
other
Al24Co12O48
84
156
821.48
mp-1215677
-6.502322
1.332466
-4.056633
other
Zn1Mo2Se4
7
156
169.95
mp-1028686
-7.027366
2.17358
-5.539951
other
W4Se6S2
12
156
350.21
mp-685267
-5.513721
-0.295814
-5.777856
other
Cr36Ga12S72
120
156
2,225.94
mp-1219312
-4.609168
-3.673633
-3.925027
other
Sc1Cu1Se2
4
156
83.83
mp-1028690
-9.227861
2.875374
-4.822733
other
Te4W4S4
12
156
375.5
mp-1215907
-6.061484
-3.640567
-1.725123
other
Y1Ag1Te2
4
156
127.33
mp-1220646
-7.583619
-1.735037
2.842952
other
Nb3Si1Ni8
12
156
153.3
mp-1221395
-3.960543
-0.158677
-3.819829
other
Na1Nb2S4
7
156
144.19
mp-1096788
-4.38246
-1.428901
-6.207283
other
Zn3Ga2S6
11
156
227.09
mp-1221533
-4.882554
-1.594306
-6.464872
other
Mn2Zn8S10
20
156
412.26
mp-1224151
-8.203141
-6.019049
2.391624
other
In3Sn3Au4
10
156
252.82
mp-1229014
-6.107578
-6.763971
3.956364
other
Ca6In4Ga8
18
156
430.88
mp-1023941
-9.41033
1.983096
-3.807358
other
Te4Mo1W1
6
156
267.24
mp-1044601
9.595578
8.664353
0.072799
other
Ca6Bi12O24
42
156
749.31
mp-1215881
6.584956
6.798126
-3.855981
other
Zn1Cl2O14
17
156
243.66
mp-1217376
-5.454963
-0.178983
3.350434
other
Tc2W4C2
8
156
107.1
mp-1044919
12.724278
10.734514
1.873915
other
Ca6Ti12O24
42
156
523.79
mp-1220691
-4.108108
-0.119571
-3.970761
other
Nb2Cu1S4
7
156
127.6
mp-1221581
-4.14963
-1.298425
-5.893149
other
Mn1Hg2S3
6
156
152.1
mp-1030155
-9.144475
1.820136
-3.585017
other
Te8Mo3W1
12
156
440.04
mp-1221503
-5.349778
-2.631336
-3.958174
other
Mn1Zn1Se2
4
156
97.09
mp-34140
8.251671
13.374591
-1.030165
other
Zn6Fe12O24
42
156
473.11
mp-1227463
-5.751876
-3.75592
-2.010946
other
Bi3Sb3Te6
12
156
417.69
mp-2225835
-4.731716
0.083799
-5.007307
other
Mg1V2S4
7
156
143.91
mp-1025905
-7.022563
1.68535
-4.401317
other
Mo2W1Se6
9
156
293.92
mp-1028823
-7.405089
1.634599
-4.681108
other
Mo1W3Se8
12
156
362.64
mp-1221502
-4.755582
-1.234423
-5.75967
other
Mn1Zn1S2
4
156
83.58
mp-1215215
-4.317756
-1.299625
-3.604143
other
Zr1Se1S1
3
156
75.93
mp-1219928
-8.339297
-3.93817
2.230919
other
Pd1Pt1Au1
3
156
49.13
mp-1040943
12.980989
12.579417
-0.549697
other
Mg6V12O24
42
156
471.97
mp-753550
10.516883
13.03948
0.213974
other
Mn5O5F1
11
156
155.17
mp-1030447
-9.452303
2.31215
-3.576397
other
Te6Mo4Se2
12
156
419.6
mp-1225685
-8.931646
-3.659744
2.418624
other
Cu1Ni1Pd1
3
156
38.9
mp-1218073
-6.685876
-0.987913
4.42765
other
Ta3Mn8Si1
12
156
152.89
mp-1226172
-6.808612
-2.373809
1.18526
other
Co3Ni3Sb3
9
156
137.93
mp-1226393
-5.222359
-0.12422
3.385899
other
Cr1Re13B6
20
156
240.37
mp-1226433
-5.508873
-0.283746
-5.780271
other
Cr12Ga4S24
40
156
741.65
mp-1027335
-5.899061
2.0311
-4.906111
other
Mo2W2S8
12
156
304.09
mp-1041298
12.797463
10.580366
0.253032
other
Ca6Mo12O24
42
156
604.59
mp-1210610
10.433237
8.981673
0.195781
other
Mg1Zn7O8
16
156
189.79
mp-1215520
-4.491806
-1.612509
-6.330258
other
Zn2Ge1S3
6
156
135.77
mp-1041171
8.37685
13.25048
-0.670904
other
Ca6Fe12O24
42
156
528.27