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-17700
11.567308
11.271488
-1.976213
other
Sn4W4O16
24
52
343.53
mp-770711
11.639234
11.246264
-2.13632
other
Ge4W4O16
24
52
330.42
mp-23373
1.273167
1.96318
-5.329892
other
Ba4Zn4Cl16
24
52
698.76
mp-1201395
-5.670035
-3.92342
-1.805369
other
Tb16Te12N8
36
52
944.47
mp-1246167
1.039509
2.127348
1.825544
other
Ba12Cr8N16
36
52
636.24
mp-1247132
1.87726
1.819261
1.470209
other
Ba12Sc8N16
36
52
760.2
mp-1246832
1.828711
1.754122
1.368367
other
Sr16Ge4N16
36
52
726.26
mp-1247349
1.503305
1.810819
1.991592
other
Sr12Ti8N16
36
52
620.88
mp-1246959
1.114252
2.524368
1.606022
other
Mn8Pb12N16
36
52
680.57
mp-1246852
0.53202
2.559168
1.788089
other
Co16Ge4N16
36
52
393.09
mp-1246963
1.340043
1.8182
2.113144
other
Ca12Nb8N16
36
52
587.24
mp-1194671
6.842918
6.028091
-3.74176
other
Li8Se4O28
40
52
554.42
mp-770359
11.823279
11.230389
1.798115
other
Ta4As4O16
24
52
331.15
mp-1213723
8.280833
7.216729
-2.476098
other
Cs12I4O20
36
52
842.3
mp-1182691
10.063412
6.969164
-2.920248
other
Mg16Si24O92
132
52
1,999.66
mp-1247369
2.433928
2.224765
1.630064
other
Mg16Si4N16
36
52
449.48
mp-1246200
0.891567
2.376173
1.724885
other
Os8Pb12N16
36
52
704.36
mp-1245620
0.833483
2.229664
1.739348
other
Ca12Os8N16
36
52
531.8
mp-17133
2.050644
1.759739
1.486397
other
Ba12Al8N16
36
52
648.21
mp-1245671
0.979726
2.086427
1.671864
other
Sr12Ru8N16
36
52
598.84
mp-1245452
1.626913
1.813045
1.2292
other
Ba12Y8N16
36
52
894.04
mp-1179305
10.680138
9.961195
-1.2977
other
Ta4Sb4O16
24
52
598.19
mp-1247285
2.218302
2.190411
1.596429
other
Zn16Ge4N16
36
52
472.96
mp-1247072
0.998421
2.037226
1.641166
other
Ba12Ru8N16
36
52
674.52
mp-1246434
2.075007
1.959393
1.475859
other
Sr12Ge8N16
36
52
609.66
mp-1245487
1.945979
1.817727
1.537014
other
Sr12Sc8N16
36
52
672.35
mp-1245961
2.194202
2.271691
1.406803
other
Cd12Ga8N16
36
52
553.78
mp-18297
1.913824
1.801405
1.427698
other
Ba12Ga8N16
36
52
682.34
mp-1245576
2.419275
2.232793
1.415964
other
Ga8Sn12N16
36
52
600.14
mp-1246042
0.94357
2.123916
1.899484
other
Ca12Cr8N16
36
52
491.8
mp-768970
6.90268
9.938457
-1.169782
other
Li8Bi4O12
24
52
315.99
mp-1245563
0.952196
2.148306
1.70389
other
Sr12Os8N16
36
52
603.93
mp-1246021
0.99116
2.242412
1.688693
other
Ca12Mn8N16
36
52
491.65
mp-1209271
-0.370646
1.122183
-4.440224
other
Rb4In4Br16
24
52
935.48
mp-29249
-4.194572
-2.837319
-3.412698
other
Ge8As8Se8
24
52
647.81
mp-1246671
0.987959
2.190071
1.643502
other
Ba12Mn8N16
36
52
628.76
mp-759093
10.452195
0.94619
1.682359
other
Li4Mn4F12
20
52
244.87
mp-1246494
1.126975
2.006026
1.491399
other
Sr12Rh8N16
36
52
595.53
mp-17129
2.119716
1.864254
1.530829
other
Sr12Al8N16
36
52
566.22
mp-1246438
1.082298
2.17428
1.567836
other
Ba12Fe8N16
36
52
625.74
mp-1246054
2.22039
2.194345
1.609713
other
Zn12Ga8N16
36
52
465.36
mp-768988
9.768565
9.615793
-0.001268
other
Li16Bi8O20
44
52
661.26
mp-647226
11.090016
10.808191
1.272288
other
Ta4Sb4O16
24
52
414.66
mp-1247515
0.783897
2.177838
1.8457
other
Ca12Re8N16
36
52
537.74
mp-1246135
1.766056
1.815109
1.272688
other
Sr12In8N16
36
52
680.17
mp-756941
5.335697
10.004381
-2.415887
other
Li4Fe4O12
20
52
197.85
mp-1246427
1.931784
1.820695
1.544526
other
Ca12Sc8N16
36
52
619.98
mp-1246751
1.289824
2.56353
1.724586
other
Cr8Pb12N16
36
52
630.88
mp-1246247
1.077696
2.482819
1.667332
other
V8Pb12N16
36
52
716.91
mp-1196573
1.65638
2.474133
-0.052536
other
Na8Yb8N32
48
52
1,031.32
mp-30900
10.654604
10.404532
1.709572
other
Ta4Bi4O16
24
52
332.52
mp-1246046
2.305446
2.161267
1.668872
other
Mg12Ga8N16
36
52
457.17
mp-1246037
0.874612
2.095227
1.806807
other
Sr12Re8N16
36
52
609.31
mp-1205391
11.324745
10.817897
1.659324
other
Ta4Sb4O16
24
52
327.5
mp-1247324
0.860635
2.342362
1.802678
other
Re8Pb12N16
36
52
746.43
mp-780428
9.324856
8.857314
-0.034851
other
Na16Bi8O20
44
52
826.18
mp-1246626
1.989699
1.896388
1.398186
other
Ba12Ge8N16
36
52
691.8
mp-27286
8.668038
8.679234
-0.868511
other
Ba4Ag24O16
44
52
778.11
mp-1178508
-1.271259
1.940618
-1.614487
other
Ba4Sr4I16
24
52
1,225.16
mp-1246636
1.170616
1.983288
1.424977
other
Sr12Ir8N16
36
52
611.31
mp-16945
2.020682
1.848602
1.473443
other
Sr12Ga8N16
36
52
584.93
mp-1245713
0.642158
2.346988
2.067785
other
Cr12Ga8N16
36
52
425
mp-1246148
1.1462
2.060302
1.870936
other
Sr12Cr8N16
36
52
560.71
mp-1246320
1.493921
1.911102
1.936529
other
Ba12Ta8N16
36
52
750.64
mp-28996
9.305401
8.642215
-1.112371
other
Ag16Bi8O20
44
52
766.08
mp-1097053
10.43132
10.458005
3.459521
other
Li8Zr8O20
36
52
522.31
mp-1201301
10.12571
9.856737
3.964628
other
K8Hf8O20
36
52
535.32
mp-1246374
1.493542
1.925071
1.904553
other
Ba12Ti8N16
36
52
705.24
mp-29423
-0.473657
1.278912
-4.308044
other
Tl4Fe4Br16
24
52
828.64
mp-763100
10.514185
0.127737
0.255255
other
Li4Mn4F16
24
52
326.39
mp-770111
5.927746
8.872745
-1.141641
other
Pr4Bi4O16
24
52
348.75
mp-1246197
1.271243
2.028309
1.535041
other
Ba12Co8N16
36
52
631.36
mp-1247412
0.898763
2.107512
1.641745
other
Ba12Os8N16
36
52
688.04
mp-859135
-1.245062
1.935723
-1.722498
other
Ba4Ca4I16
24
52
1,160.13
mp-1246071
0.963545
2.579479
1.764638
other
Mo8Pb12N16
36
52
695.74
mp-1246099
1.849084
1.953809
1.227257
other
Ca12In8N16
36
52
604.59
mp-1246469
1.809237
1.979702
1.21309
other
Sr12Sb8N16
36
52
800.57
mp-28048
-0.297934
1.164858
-4.418946
other
K4Tl4Br16
24
52
885.76
mp-1247427
0.871584
2.044141
1.901014
other
Sr12V8N16
36
52
586.05
mp-1246156
1.266185
2.128441
1.458131
other
Ca12Ni8N16
36
52
478.25
mp-1247420
1.792818
1.915042
1.748642
other
Sr12Zr8N16
36
52
780.3
mp-649253
8.454691
2.385271
-0.905451
other
Nb4Cl4F32
40
54
602.42
mp-849741
10.183456
7.797966
-6.564809
other
Ni8P24O72
104
54
1,456.19
mp-618968
12.280191
10.055017
0.742773
other
U4Mo4O20
28
54
402.02
mp-558285
10.969995
8.203154
-0.805416
other
Ga4Bi4O12
20
54
278.09
mp-28185
8.45246
2.390097
-0.861508
other
Ta4Cl4F32
40
54
595.12
mp-27308
8.243991
2.35008
-1.012344
other
Sb4Br4F32
40
54
616.8
mp-1100957
11.786436
10.228415
1.861656
other
U4Nb4O20
28
54
398.98
mp-37747
-3.121836
-1.186707
-5.483801
other
Li8H8S8
24
54
386.28
mp-1100878
6.609414
4.942678
-4.886638
other
Y4N4O16
24
54
277.69
mp-27894
-4.568329
1.257439
3.298113
other
La8Re12B28
48
54
608.73
mp-1200699
12.610992
6.923469
-5.1331
other
P8O12F16
36
54
496.62
mp-22959
6.462963
5.90534
-3.486804
other
Ag4Cl4O8
16
54
272.26
mp-28437
8.393454
2.421078
-0.763319
other
Ru8Cl8F64
80
54
1,282.87
mp-1200596
8.05785
7.222784
-4.690233
other
P8N8O24
40
56
922.65
mp-759214
10.589229
8.012834
-6.982661
other
Co4P12O36
52
56
683.5
mp-27278
11.549002
4.281981
-4.698411
other
P8H32O32
72
56
752.15
mp-1202072
8.046288
2.206911
-1.168356
other
Sn4N16F32
52
56
953.51
mp-1179877
7.022368
5.875809
-4.45445
other
P8N8O24
40
56
883.1
mp-555939
10.442045
9.367638
-1.935653
other
Li16Te16O40
72
56
1,019.17