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-1208199
4.755196
2.604162
-3.066451
other
Ti1C3
4
65
49.89
mp-1214610
4.272896
2.535412
-3.31886
other
Ca1C12
13
65
718.6
mp-1206287
-8.063932
-6.26486
5.299903
other
Lu2In4
6
65
144.59
mp-753759
10.163212
2.595866
0.26321
other
V1F4
5
65
64.57
mp-1223839
-7.878387
-6.71301
2.050535
other
In1Ag3
4
65
79.45
mp-541131
-7.217405
-5.651122
3.671714
other
Ce4Sn10
14
65
382.35
mp-1079218
-7.114609
-5.674068
3.701527
other
Ho3Sn7
10
65
256.01
mp-1220334
-5.659743
-1.818301
3.724728
other
Nb1V1
2
65
32.07
mp-1207348
2.226793
2.857439
-4.023669
other
Ni1Cl6
7
65
2,949.92
mp-1215543
-3.876872
-1.430141
-3.54969
other
Zr3S4
7
65
137.65
mp-755875
12.857864
10.105334
1.883148
other
Ti3O4
7
65
71.68
mp-1224292
-5.662211
-3.59818
3.981353
other
Hf1Ta1
2
65
39.85
mp-1207313
2.096045
2.78058
-4.008581
other
Mg1Cl6
7
65
3,813.04
mp-1079241
-4.605023
-4.340184
5.881043
other
Ce2Si7
9
65
156.43
mp-11413
-7.750415
-4.41552
5.463647
other
Sc2Ga4
6
65
106.23
mp-1220327
-5.661971
-1.606806
3.678943
other
Nb1Mo1
2
65
33.68
mp-1182251
-7.145883
-5.651818
3.468152
other
Er3Sn7
10
65
269.27
mp-1079704
-7.178263
-5.6533
3.652502
other
Tb3Sn7
10
65
260.71
mp-1221647
-6.896831
-0.622517
4.086931
other
Mn1Cr1
2
65
23.58
mp-1217988
-5.818886
-2.280055
3.764183
other
Ta3Ru1
4
65
68.92
mp-1215483
-9.78124
-4.847649
3.544663
other
Zn3Cu1
4
65
56.07
mp-1077015
0.921971
1.997493
-4.495413
other
Na4Cl2
6
65
171.78
mp-639558
15.591838
5.675386
0.369511
other
Si28O56
84
65
1,798.62
mp-30663
-8.055273
-3.141928
2.777126
other
Ga3Pt5
8
65
119.17
mp-1213653
4.518427
2.508671
-3.291032
other
Cu1C6
7
65
123.12
mp-1219485
-5.939132
-0.663962
3.567439
other
Re1Mo1
2
65
31.04
mp-11398
-8.117822
-1.761884
2.637656
other
Ga3Ni5
8
65
91.85
mp-1181502
6.718519
6.027436
-3.711264
other
Cs1O2
3
65
62.81
mp-1212183
-2.818662
-8.148236
1.752766
other
Li7Al6
13
65
7,320.9
mp-1212244
-2.983619
-8.510242
1.314736
other
In3Hg1
4
65
635.77
mp-1206318
-7.233362
-5.824084
3.904281
other
Nd3Sn7
10
65
275.73
mp-1220638
-5.398462
-2.836089
3.018244
other
Nb3Bi1
4
65
82.28
mp-1226063
-8.7355
-0.498984
3.425122
other
Co1Ni1
2
65
21.69
mp-1096770
1.135198
2.254842
-4.750738
other
Ni3Cl4
7
65
121.49
mp-1206888
0.252315
2.258724
-3.130027
other
Dy1I6
7
65
6,832.33
mp-1219670
-6.067797
-4.658731
3.484463
other
Pu1Ga1
2
65
34.31
mp-1208306
-3.41502
-1.410473
-4.178751
other
Tb1S3
4
65
312.6
mp-1224754
-7.648825
-0.30563
3.31542
other
Fe3Pd1
4
65
51.79
mp-1227305
-5.837636
-3.870706
-1.721573
other
Bi1Te1
2
65
62.51
mp-1217895
-5.778264
-1.712041
3.902077
other
Ta1Mo1
2
65
33.45
mp-22558
-5.22473
-2.73802
4.385602
other
Ti1Si1
2
65
29.26
mp-1224892
-7.444065
-0.026753
3.759124
other
Ga1Fe3
4
65
49.86
mp-1215526
-7.650867
0.209117
3.862533
other
Zn1Fe3
4
65
48.52
mp-1216655
-5.854938
-1.528499
3.85879
other
Ti1Mo1
2
65
31.98
mp-1207230
0.481725
2.092377
-3.870373
other
Mg1Br6
7
65
4,908.05
mp-1221387
-5.947703
-0.563924
3.473886
other
Mo1W1
2
65
31.66
mp-1208342
-4.508282
-4.783708
-1.10229
other
Tb1Te3
4
65
494.32
mp-1215202
-5.709522
-3.214965
3.819841
other
Zr1Nb1
2
65
40.87
mp-1206509
-5.669912
-3.780142
3.800728
other
U4Tc2
6
65
113.01
mp-1209854
-7.221703
-5.787172
3.856222
other
Nd4Sn10
14
65
383.37
mp-1227075
-5.700674
-7.346389
4.887746
other
Ca1Y1
2
65
71.62
mp-1219493
-6.044953
-0.617261
3.450091
other
Re1Mo3
4
65
62.8
mp-1225695
-8.985957
-1.63214
2.83638
other
Cu1Ni1
2
65
21.93
mp-1222270
-6.286865
-9.372018
4.589165
other
Li1Mg1
2
65
41.51
mp-30683
-6.846611
-3.701264
4.550574
other
Zr2Ga4
6
65
106.21
mp-1226211
-7.111377
-0.028053
3.956666
other
Cr1Fe1
2
65
22.82
mp-1066497
-5.148026
-2.346005
-3.407597
other
Fe2Se2
4
67
85.32
mp-600018
15.665872
5.653561
0.382346
other
Si24O48
72
67
1,255.41
mp-653763
15.640776
5.632337
0.338512
other
Si56O112
168
67
3,333.19
mp-557870
8.594748
1.487977
2.067528
other
La4F12
16
67
206.27
mp-1206371
2.554209
-0.179161
-1.462083
other
Nb2H2
4
67
42.43
mp-1080586
-7.531604
-4.485762
2.752694
other
Sn8Ir2
10
68
232.34
mp-1393
-7.286291
-5.700029
2.43717
other
Sn8Au2
10
68
255.14
mp-556088
15.603718
5.59392
0.31007
other
Si16O32
48
68
929.57
mp-2128
-7.445121
-5.249914
2.461058
other
Sn8Pd2
10
68
241.86
mp-20662
-7.435081
-5.107758
2.406324
other
Sn8Pt2
10
68
239.39
mp-559860
15.272249
5.667168
0.130361
other
Si8O16
24
68
375.08
mp-1200062
-7.966223
-3.871953
4.730445
other
Ga32Rh6
38
68
663.56
mp-1080042
5.380573
1.954519
-2.878322
other
Ir2C8
10
68
94.4
mp-570534
-0.131171
0.624513
-3.25472
other
Nd16Br36
52
7
1,609.31
mp-1201958
10.722434
10.675708
-3.731345
other
Mo32O92
124
7
1,859.78
mp-31311
-8.203282
-3.286534
5.066801
other
Ga18Ir4
22
7
361.05
mp-553881
14.180753
6.496541
-0.500425
other
Si4O8
12
7
130.32
mp-31243
-4.677171
-5.077789
0.456956
other
Ba6As12
18
7
547.24
mp-685156
11.522504
10.574629
-2.969124
other
Mo4O12
16
7
228.51
mp-1274771
11.927061
13.609186
-2.326555
other
V8O16
24
7
280.08
mp-1197287
-3.661326
-1.377512
-5.609156
other
Ge12S24
36
7
971.76
mp-31312
-8.149126
-3.534869
4.88107
other
Ga18Rh4
22
7
359.16
mp-38511
-4.090409
-1.382914
-5.473974
other
Ag4S2
6
7
121.65
mp-715474
10.473227
10.554713
-3.815841
other
Mo4O12
16
7
244.32
mp-571547
-5.825638
-2.953398
-1.982767
other
Te8Au4
12
7
335.3
mp-1120827
0.84381
1.567291
2.618293
other
Nb12N4
16
7
251.26
mp-1181570
9.485796
13.26694
-0.748636
other
Fe12O16
28
7
289.26
mp-1196958
11.042201
13.326429
-3.527915
other
V12O26
38
7
461.99
mp-768262
10.471919
2.635697
1.036452
other
V6F20
26
7
361.54
mp-715584
10.225238
10.587262
-3.844194
other
Mo4O12
16
7
216.31
mp-759972
9.989214
2.577024
0.280361
other
V2F8
10
7
147.22
mp-1019080
0.666341
2.410002
1.844388
other
Re2N4
6
7
68.06
mp-673245
-1.306211
2.504273
-3.233757
original
Cu4I4
8
7
222.99
mp-1015076
0.641179
3.102947
1.551216
other
Cr4N8
12
7
161.92
mp-684798
-5.901308
-3.220567
-2.778528
other
Ag8Te4
12
7
315.29
mp-1198417
7.326428
8.626514
-3.874753
other
Cr8O30
38
7
666.39
mp-1080264
-4.266859
-4.497933
-3.40646
other
Ce4Se8
12
7
393.6
mp-715574
10.592241
10.547736
-3.856942
other
Mo4O12
16
7
291.48
mp-684707
-5.475901
-0.697602
-4.06719
other
Fe28S48
76
7
1,102.44
mp-2704783
11.48287
10.641116
-3.022004
other
Mo4O12
16
7
218.75
mp-1080298
-4.261971
-4.971594
-3.407523
other
Ce8Se16
24
70
1,819.89
mp-555483
15.228455
5.83139
0.209567
other
Si4O8
12
70
163.87
mp-20887
-7.045214
-3.708446
2.635709
other
V4Sn8
12
70
241.95
mp-1179882
1.919438
2.290496
0.887195
other
Na4N4
8
70
111.87