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-781757
11.037294
12.053678
2.876444
other
Ta8Nb8O40
56
14
1,024.96
mp-31362
1.243916
1.852884
-5.412575
other
Na6Y2Cl12
20
14
497.11
mp-573358
-4.450309
-2.673007
-3.594884
other
Cs4B4Se12
20
14
593.01
mp-559626
11.279446
9.7726
-0.366903
other
Fe4Sb8O16
28
14
453.11
mp-704189
9.447913
7.820006
-6.098255
other
Co12P12O48
72
14
1,144.5
mp-1214626
1.094144
1.598987
-5.078606
other
Ba8Tb4Cl28
40
14
1,139.77
mp-15431
-4.750588
-5.150943
0.235635
other
Na16Ga16As24
56
14
1,270.76
mp-1191330
11.370356
11.947908
-2.724608
other
Ce4V4O16
24
14
333.97
mp-1204253
9.190174
7.358633
-3.552345
other
Cu64Se48O160
272
14
3,997.29
mp-1214333
7.129862
2.356822
-3.000621
other
C48Br8F32
88
14
1,312.3
mp-780409
10.437255
8.288563
2.401705
other
La16Al8O36
60
14
968.79
mp-1245343
0.527148
2.271953
1.89902
other
Mn12Ru32N36
80
14
917.71
mp-1214273
6.150826
2.926113
-3.756867
other
C12Br8O4
24
14
629.45
mp-1226775
8.800505
1.417893
0.045829
other
Cd2Pd2F8
12
14
168.52
mp-3911
12.885035
10.442266
-0.016531
other
La4Mo20O32
56
14
756.45
mp-561445
10.871858
7.986193
-7.273713
other
Fe4P4O16
24
14
330.8
mp-1368365
8.168482
1.232829
1.21689
other
Ca4Bi4F20
28
14
524.74
mp-570306
-1.227057
2.689811
-2.942281
other
Tl4Ga4I16
24
14
1,051.86
mp-558924
8.950156
1.082631
1.143346
other
Na10Ga6F28
44
14
533.08
mp-26640
9.029757
7.928273
-5.635931
other
Co4P8O28
40
14
544.13
mp-1042371
11.419572
7.810046
-4.165256
other
Ti4As8O28
40
14
610.18
mp-675327
6.587852
9.043743
-1.382106
other
Ag18Pb8O24
50
14
813.37
mp-28634
8.082582
2.234472
-1.070779
other
K8I24F128
160
14
2,783.3
mp-765341
9.548138
0.582535
-0.403001
other
Li4Cu4F16
24
14
260.14
mp-720382
8.652376
4.688086
-4.050219
other
H48Cl8O52
108
14
1,035.25
mp-771255
10.013758
8.088285
-0.369216
other
Cs16Si4O16
36
14
836.63
mp-768422
12.339716
6.527068
-0.168307
other
Tm4H4O8
16
14
174.11
mp-1197561
6.47425
0.375717
-3.404861
other
B40H52Br4
96
14
1,038.32
mp-1246343
1.116839
2.209469
1.49002
other
Sr4Co4N8
16
14
231.91
mp-3699
-5.498669
-1.657742
-2.883589
other
Co4As4S4
12
14
175.76
mp-683980
7.608263
6.627173
-3.036569
other
Ho4I12O36
52
14
773.64
mp-1105915
8.308425
1.170622
1.234685
other
Cs4Sn4F12
20
14
483.02
mp-1214369
5.226757
2.542321
-3.488837
other
C32N8Cl16
56
14
1,270.73
mp-1201956
13.428539
7.876645
-0.836245
other
Cd8Si8O18
34
14
558.62
mp-636960
14.483938
8.420245
-4.459114
other
Fe16P8O36
60
14
702.9
mp-1199544
-5.137666
-3.458601
5.798135
other
Er10Co8Si28
46
14
726.65
mp-755960
14.334122
12.974343
-1.336737
other
V8O12F4
24
14
260.59
mp-777296
12.907132
-0.898493
0.434008
other
Mn8O8F8
24
14
271.8
mp-1203182
7.813335
9.53567
-3.695946
other
Nd8Cr8O40
56
14
852.26
mp-1199352
8.136402
2.095552
-0.799105
other
Sb4Xe4F28
36
14
633.99
mp-4736
13.185421
6.421237
-6.7009
other
Nd4P20O56
80
14
1,078.34
mp-850528
14.211922
9.244623
-2.389686
other
V6P4O16
26
14
299.11
mp-30286
10.128827
7.83857
-3.037403
other
Hg8Se4O12
24
14
491.68
mp-1044207
7.774048
9.475824
-3.611382
other
Cr4Bi4O20
28
14
557.2
mp-1179473
10.395742
5.749024
-3.326223
other
Sr4B24O56
84
14
1,053.2
mp-662605
12.991532
6.318244
-0.868473
other
Na24Si48O108
180
14
2,015.05
mp-1179836
3.200915
3.017755
-3.931972
other
Pt2N4Cl4
10
14
252.11
mp-504564
-3.286903
-1.860781
-5.753139
other
Si4Pb8S16
28
14
724.41
mp-555443
7.0255
3.071359
-2.741225
other
P20N20F40
80
14
1,276.57
mp-541686
-3.675507
-1.587199
-5.545654
other
K12Ga4S12
28
14
780.55
mp-1197928
5.735773
5.273779
-3.990216
other
Ta12Cl24O32
68
14
1,783.26
mp-1210257
9.019605
1.684503
1.578483
other
Na6Ti2F12
20
14
248.8
mp-1212993
10.758368
8.205137
2.426071
other
Dy16Al8O36
60
14
836.75
mp-17500
8.435059
1.716941
-0.127663
other
Gd4Pt4F28
36
14
519.54
mp-775997
12.758793
9.176651
-6.378408
other
V12P8O44
64
14
867.01
mp-29300
1.895036
2.475657
-5.019545
other
Ga4Cu2Cl16
22
14
614.92
mp-28551
8.367643
1.867026
-4.335937
other
H32C4N24
60
14
478.86
mp-1196792
7.818216
6.792336
-4.663123
other
Fe4P4O24
32
14
500.56
mp-1197996
10.56108
9.225728
-0.401169
other
Sr10Sb44O76
130
14
2,421.76
mp-1205303
8.54854
1.206612
0.823339
other
Yb4Be4F16
24
14
264.14
mp-1213795
8.503465
1.364192
1.452431
other
Cs8U4F28
40
14
1,008.17
mp-1042609
8.627286
10.605824
-2.40091
other
Co8Sb16O56
80
14
1,142.94
mp-780310
5.218255
11.787566
-2.382395
other
Fe10O16F4
30
14
323.24
mp-10914
8.259307
9.791968
-0.12944
other
K12Cu20O16
48
14
941.44
mp-5929
-3.341769
-4.588811
0.796076
other
Na20Si4P12
36
14
746.97
mp-1019803
12.482943
7.500039
0.663159
other
K2Al18O28
48
14
534.65
mp-1192365
-5.801671
-3.906161
-1.789289
other
Dy12Te12N4
28
14
791.85
mp-580161
-5.836688
-6.306482
0.746664
other
Na36In12Bi24
72
14
2,457.82
mp-18801
12.643459
13.177434
-1.110105
other
Yb4V16O32
52
14
580.32
mp-13194
9.792164
9.490843
1.06834
other
Pr4Sb4O16
24
14
323.65
mp-1202415
7.988794
2.46282
-0.976866
other
Sb8N8F32
48
14
1,073.08
mp-23398
8.287406
2.341228
-1.022272
other
B4Cl4F24
32
14
426.01
mp-1196006
9.779271
10.098395
3.3478
other
Ba16Ta8O36
60
14
1,101.21
mp-1199684
7.98985
7.333277
-4.530012
other
U4P8O52
64
14
1,155.94
mp-651997
11.984898
8.30045
-1.802427
other
Fe12Ge8O32
52
14
604.64
mp-31554
8.598154
7.950361
-5.059594
other
Co6P8O32
46
14
612.91
mp-779144
9.18262
8.494427
0.43641
other
Rb12Ho4O12
28
14
661.56
mp-680614
-6.265131
-5.754437
4.051682
other
Li4Yb32Ge52
88
14
2,141.06
mp-1208018
7.567357
7.739809
-4.091714
other
V4S4O32
40
14
660.73
mp-504662
10.804401
9.348269
-0.790892
other
Sb12Cl12O12
36
14
815.16
mp-1196447
6.942752
4.955448
-4.821747
other
Nd4C12O36
52
14
1,183.21
mp-1203861
10.464072
7.257327
-1.878568
other
Mg16Si24O72
112
14
1,496.59
mp-1370373
9.23048
2.264744
1.302152
other
Zn4Mo4F20
28
14
421.99
mp-504630
-5.55461
-2.802002
-2.555223
other
In8Te8Cl8
24
14
783.58
mp-1182128
11.244269
11.744899
-0.807813
other
Ce4V4O16
24
14
319.41
mp-699501
10.684572
3.923009
-3.419088
other
Ba20H40O40
100
14
1,344.73
mp-1221729
8.01271
9.866489
-0.000774
other
Na20Cu12O24
56
14
758.9
mp-29603
-5.74564
-3.585102
-1.682941
other
Rb8Zr4Te12
24
14
956.43
mp-1182197
6.766856
7.419689
-2.296093
other
Nd4Mn4O12
20
14
4,031.42
mp-28257
8.251321
2.985148
-2.145862
other
S8O8F16
32
14
498.24
mp-1220985
10.693036
11.576746
3.35659
other
Nd10Ta30O90
130
14
1,877.34
mp-1042370
11.115387
7.780307
-4.243438
other
Sn4As8O28
40
14
634.59
mp-780377
13.73534
5.571369
-6.969635
other
Lu8P16O52
76
14
1,119.31
mp-1178283
10.080688
8.400973
2.313953
other
Gd16Ga8O36
60
14
890.4
mp-1323922
8.545792
1.036238
-0.222124
other
Ca4Ag4F20
28
14
458.9
mp-771256
11.833015
7.151325
-3.643014
other
Sr12As8O32
52
14
874.34
mp-756495
8.97023
11.58773
0.010149
other
Li12Cu4O8
24
14
267.54
mp-1200258
9.484663
5.133006
-6.223205
other
Hg4S8O28
40
14
558.48
mp-541832
-3.180329
-1.826871
-5.418409
other
Ba8Sn4S16
28
14
830.42
mp-27515
-3.543005
-1.459874
-5.180258
other
Tl4Sb12S20
36
14
999.77