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-1182453
-0.441058
1.42706
-4.826246
other
Cs8Cd4Br16
28
14
1,161.86
mp-769481
10.581501
8.32206
2.394122
other
Y16Ga8O36
60
14
861.68
mp-581143
8.559253
2.298282
-1.06936
other
Ru4O4F16
24
14
359.18
mp-641112
8.535838
2.292605
-1.097846
other
Re16O32F48
96
14
1,513.83
mp-651839
8.623509
8.447598
-1.614892
other
Hg32Br12O16
60
14
1,787.13
mp-17999
9.905121
2.322763
1.608432
other
Na4V4F16
24
14
303.4
mp-640341
-4.658922
1.352908
-5.060732
other
Mo12S28Cl16
56
14
1,407.47
mp-756076
10.564262
10.499782
3.341054
other
Tb4Ta4O16
24
14
299.69
mp-778759
7.641887
6.424222
-3.197438
other
Ce4I8O24
36
14
580.81
mp-1204161
7.017637
5.227227
-4.753877
other
Nd4C12O44
60
14
1,062.14
mp-768995
1.213477
1.996345
-5.267558
other
Ba4Y10Cl38
52
14
2,122.99
mp-756378
6.436242
11.074032
-1.366206
other
Na8Co4O12
24
14
318.1
mp-1198436
6.380274
5.440668
-4.515922
other
Mo4N8O32
44
14
600.49
mp-697788
9.658757
7.907592
-6.383856
other
Mn4P8O28
40
14
535.01
mp-767134
14.029696
7.242995
-5.113409
other
Sn8P8O28
44
14
651.77
mp-1182852
6.401632
5.572656
-4.455481
other
Bi24N20O104
148
14
2,333.15
mp-1246270
2.189366
2.173373
1.610402
other
Ca4Ga8N8
20
14
318.83
mp-768597
1.036216
1.796551
-5.265817
other
Sr4La4Cl20
28
14
1,025.54
mp-1202231
9.445032
6.546304
-3.379865
other
Ca8B20O52
80
14
940.13
mp-1189516
1.194616
1.804165
-5.351129
other
Na6Sc2Cl12
20
14
467.56
mp-1214211
5.905935
3.39438
-4.187528
other
C12S12O8
32
14
653.68
mp-554873
13.729569
4.362627
-2.427058
other
Ag8B32O52
92
14
996.22
mp-1200526
-4.8722
-4.989237
0.37695
other
Eu12Ge8As16
36
14
948.41
mp-1214375
5.212872
2.569141
-3.493265
other
C32N8Cl16
56
14
1,165.05
mp-1326300
9.356718
2.565819
1.431746
other
Zn4W4F20
28
14
428.57
mp-1213886
8.653233
1.281402
1.628525
other
Ce8Tl8F40
56
14
890.6
mp-3967
7.07969
4.687228
-4.702381
other
Na8N8O8
24
14
296.13
mp-1340379
12.041093
8.521805
0.281915
other
Al4Sn4O12
20
14
255.9
mp-28536
9.434965
7.023774
-3.458407
other
Ba4Se8O20
32
14
527.39
mp-30184
7.475895
1.471892
-4.279576
other
H16C28O4
48
14
532.9
mp-696012
12.553192
7.922154
-6.480665
other
Mo4P20O60
84
14
1,313.68
mp-765481
8.980618
0.840833
-0.314155
other
Li8Ag4F20
32
14
406.7
mp-780361
13.622429
5.460605
-6.904243
other
La8P16O52
76
14
1,303.17
mp-726974
1.785637
2.535347
0.003442
other
Rb8Zn4N16
28
14
697.7
mp-770734
11.752362
7.111207
-4.165747
other
Mg12As8O32
52
14
667.32
mp-1176936
9.584991
12.572924
0.859863
other
Li12Ti4O14
30
14
279.98
mp-1190990
6.90949
10.574496
-1.748248
other
Cu8Cl4O12
24
14
310.93
mp-28808
10.146617
10.683044
-3.193953
other
Tl12Re12O48
72
14
1,291.91
mp-26458
10.356594
8.120003
-6.736388
other
Cr4P8O28
40
14
509.73
mp-725881
2.193164
2.912731
-4.530826
other
Pb8N4Cl20
32
14
878.76
mp-1182145
4.302972
3.01018
-3.713803
other
C4N8O4
16
14
419.25
mp-1208784
1.074738
1.738083
-5.356195
other
Sr8Tl4Cl20
32
14
902.29
mp-571219
-1.098057
2.813352
-2.977749
other
Tl12Bi4I24
40
14
1,759.33
mp-779906
9.881767
11.328472
0.852092
other
Ca6W2O12
20
14
267.55
mp-29416
-0.107963
0.510364
-3.256441
other
Pr20C8Br36
64
14
2,033.65
mp-770499
14.461621
7.776321
-6.539215
other
Mn16P8O36
60
14
743.5
mp-5001
2.066455
2.309659
1.301189
other
Li12B4N8
24
14
220.72
mp-561449
8.514262
2.403869
-1.002629
other
Os4O4F16
24
14
334.59
mp-1209308
8.238397
6.663345
-5.30452
other
Sb4S4O24
32
14
459.92
mp-28085
8.464668
1.790025
-0.373539
other
K4As8F28
40
14
627.81
mp-652046
-2.894642
0.783519
-3.846927
other
Re12S16Br4
32
14
765.91
mp-652407
5.627569
3.349826
-4.666653
other
Ru12C48O48
108
14
1,794.08
mp-1190360
9.031992
6.585525
-4.001278
other
Ca4Se4O16
24
14
315.8
mp-1200214
11.134138
5.589223
-2.947301
other
Nd4B36O72
112
14
1,288.13
mp-766856
13.946153
7.364715
-5.446516
other
Cu8P8O24
40
14
539.81
mp-767114
13.808718
6.959048
-5.768409
other
Sn4P16O44
64
14
1,071.94
mp-1048335
12.68142
8.818719
-7.2089
other
V4P8O28
40
14
532.8
mp-679967
-4.079661
-0.766614
-3.358881
other
Nb24Se80Br24
128
14
3,914.7
mp-505098
8.677764
7.115035
-3.832952
other
Fe8Se12O48
68
14
918.25
mp-23403
8.170945
2.207496
-0.757008
other
Sb16I16F80
112
14
2,369.35
mp-1196213
10.777278
12.166806
2.451585
other
Li8Nb8O24
40
14
486.29
mp-1201059
7.461684
4.943713
-5.366432
other
Pb4C16O20
40
14
555.1
mp-726023
4.375862
3.81452
-3.990125
other
N4Cl4O4
12
14
277.5
mp-1247480
1.852683
2.160338
0.989037
other
Na12Al4N8
24
14
420.18
mp-28837
1.498102
2.637144
-5.57739
other
K12Rh4Cl24
40
14
1,057.84
mp-766015
10.634982
9.164412
-1.019976
other
Sb12O12F12
36
14
688.35
mp-573016
8.956581
0.316606
0.707201
other
Cs14Co8F30
52
14
992.64
mp-23902
11.767089
4.823486
-5.060818
other
P4H12O16
32
14
311.06
mp-1042747
8.337678
7.844529
-4.369554
other
Ni4As8O28
40
14
604.6
mp-1041213
14.074491
8.776231
-3.127897
other
P8W6O28
42
14
573.79
mp-1042380
11.506261
7.765744
-4.052798
other
Sb4As8O28
40
14
664.42
mp-7423
8.194396
10.702033
1.791175
other
Sm12Re4O32
48
14
617.14
mp-607987
-1.339172
2.932494
-2.821537
other
Cs4In4I16
24
14
1,189.73
mp-755334
10.533626
0.960356
-1.311669
other
Co6O4F8
18
14
207.33
mp-18510
12.082695
6.613455
0.311054
other
Sr8Si4O16
28
14
392.56
mp-556942
12.34902
6.391812
0.069506
other
Ca16Si8O32
56
14
790.21
mp-556586
11.034695
10.939273
-3.399718
other
Bi16Mo16O72
104
14
1,609.06
mp-1224125
8.575604
1.604621
-0.332846
other
Hg2Pd2F8
12
14
175.11
mp-1105243
11.268192
12.698422
-0.161325
other
Mn6Re2O12
20
14
228.84
mp-569203
-1.085825
2.665797
-2.980885
other
Tl12Bi8I36
56
14
2,544.98
mp-4421
10.396032
10.527785
3.360815
other
La4Ta4O16
24
14
327.65
mp-1211440
1.500462
2.626659
-5.541398
other
K4Pb2Cl12
18
14
535.38
mp-572805
7.518642
6.521223
-2.864575
other
Cs8I16O44
68
14
1,297.73
mp-1211825
6.889279
6.563517
-3.795149
other
Lu4I4O36
44
14
683.79
mp-1274267
6.345243
12.820608
-1.286428
other
Na4Ni4O8
16
14
155.68
mp-725060
6.194995
5.537682
-4.400162
other
Hg4N4O16
24
14
380.39
mp-1210506
-0.255563
0.970965
-4.156121
other
Na6Ho2Br12
20
14
584.41
mp-1101771
-6.262374
-3.1481
0.339695
other
Sb4Os4Se4
12
14
246.31
mp-570951
1.586999
2.214082
-4.967588
other
Ti2Al4Cl16
22
14
673.63
mp-766359
-1.22366
1.91754
-1.706182
other
Ba8Ca8I32
48
14
2,196.9
mp-767141
13.920833
7.137233
-5.567817
other
Sn8P16O48
72
14
1,032.3
mp-1210059
10.68406
11.61511
3.089736
other
Nd4Nb12O36
52
14
697.45
mp-4591
10.575496
11.527755
3.213507
other
Sr4Nb8O24
36
14
486.42
mp-1204440
12.935978
10.414163
-0.096647
other
In10Mo36O56
102
14
1,520.81
mp-1199878
-3.012913
-2.44863
-4.275986
other
Ba4U8S20
32
14
769.86
mp-765497
10.24339
2.67105
1.698416
other
Li4V4F16
24
14
256.64
mp-975031
3.507317
-0.588046
-2.624813
other
Rb4Be4H12
20
14
391.34
mp-1179733
7.646263
6.449368
-4.631082
other
Rb12P12O36
60
14
1,293.45
mp-1182653
8.044154
6.712297
-4.877432
other
Cd6P12O56
74
14
1,271.34
mp-1197278
9.983282
7.800551
-1.309272
other
Ca10Ge4O20
34
14
526.37