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-755109
10.081128
8.367603
3.20333
other
Y4Er4O12
20
62
282.88
mp-1197006
10.395321
4.608701
-7.285662
other
Zr4S4O24
32
62
454.39
mp-1193656
11.182919
10.691293
-2.150031
other
Cs8W4O16
28
62
656.55
mp-1102188
-5.661254
-0.997624
1.644489
other
Ti4Ni4P4
12
62
147.78
mp-1369924
12.386662
10.113997
0.695256
other
Y4W4O12
20
62
262.56
mp-725961
2.333096
2.983368
-4.276522
other
Ba4Cl8O4
16
62
471.72
mp-731856
2.60814
2.851065
-4.062201
other
Hg8N8Cl8
24
62
563.35
mp-683991
-4.357997
-1.615593
-5.384398
other
Cu16Bi16S36
68
62
1,481.22
mp-756599
9.407845
8.725037
2.732664
other
La8Zn4O16
28
62
490.32
mp-5915
6.38743
4.91082
-4.638429
other
Tl8N8O24
40
62
596.55
mp-1103093
-5.947711
0.40154
3.209305
other
Fe4B4W4
12
62
125.39
mp-1212034
1.175123
2.019674
-5.558255
other
K8Gd4Cl20
32
62
869.8
mp-1029466
0.94019
2.267117
1.497224
other
Na4Ni4N4
12
62
175.33
mp-1232199
-4.273537
-4.179047
-3.837204
other
Y8Mg4Se16
28
62
750.98
mp-1181683
-6.788571
-4.196639
4.113268
other
Ce4Si4Pd8
16
62
297.61
mp-573465
-5.832178
-2.977837
-2.856879
other
Ag40Te16Cl8
64
62
1,496.06
mp-540566
10.166442
12.36949
-3.870524
other
V8Hg8O28
44
62
565.91
mp-2646944
9.760903
9.440237
0.102042
other
Rb8Sn12O28
48
62
743.2
mp-1245687
-5.443587
-2.424983
-0.229912
other
Ta16Te12N8
36
62
891.88
mp-1213262
1.135425
1.964738
-5.482539
other
Cs4Tm8Cl28
40
62
1,176.22
mp-542882
8.10133
10.257786
-3.438229
other
Cr4Ag8O16
28
62
410.23
mp-1095274
-5.207939
-5.079059
0.763994
other
Li4Yb4As4
12
62
244.74
mp-29036
-2.615349
-2.659816
-5.618194
other
Ba4Y8S16
28
62
725.94
mp-1203293
10.53098
11.822201
3.259575
other
Na24Nb24O72
120
62
1,497.35
mp-30093
6.625852
9.997318
0.80453
other
Ba12Fe4O20
36
62
638.8
mp-1095675
-3.047505
-3.522839
-4.157458
other
Ce4As4S4
12
62
276.11
mp-23076
1.460039
2.719906
-5.874493
other
Rb8Co4Cl16
28
62
849.63
mp-1043879
6.634489
9.20695
-1.261909
other
Zn4Bi12O28
44
62
686.4
mp-722890
3.092184
-0.698266
-2.122029
other
Li12H24Ir4
40
62
339.27
mp-31153
-7.665849
-4.594263
3.321981
other
Ca4Ge4Pt4
12
62
235.61
mp-1190031
-3.22847
0.513761
2.758646
other
Tm4Mo4C8
16
62
203.5
mp-5837
10.238847
8.670694
1.895805
other
La4Ga4O12
20
62
244.78
mp-1102923
-6.512125
-6.428493
3.699157
other
Eu4Cd4Ge4
12
62
292.54
mp-622620
-7.846091
-4.466213
3.430166
other
Er4Ni4Sn4
12
62
236.04
mp-1212373
-2.417105
0.5327
2.462625
other
Ho8Os4C8
20
62
316.86
mp-1192538
-4.776892
-5.342044
0.333617
other
K4Sn12As12
28
62
852.29
mp-1247233
-5.867126
-2.897845
-2.388644
other
Al16Te12N8
36
62
757.1
mp-770953
7.907742
13.519501
-1.119397
other
Be4Fe8O16
28
62
286.56
mp-1213714
9.040252
0.268776
0.88767
other
Cs8Fe4F20
32
62
592.55
mp-1016120
8.491482
13.396135
0.166783
other
K4Mn4O8
16
62
245.14
mp-1194132
-2.60511
-2.77445
-5.659223
other
Ca4Tm8S16
28
62
641.26
mp-22206
-5.331655
-3.402225
6.132308
other
Tb4Co4Si4
12
62
191.61
mp-505066
10.157655
1.870259
2.155508
other
Na4Fe4F12
20
62
237.73
mp-18042
9.713154
8.307547
3.144573
other
Sr4Tb8O16
28
62
414.17
mp-571418
-0.372037
1.062084
-4.479832
other
Rb4Yb4Br12
20
62
713.9
mp-1196610
4.173798
3.271807
-3.830295
other
Co4Br12N20
36
62
1,127.46
mp-19728
-5.3736
-3.506981
6.051799
other
Y4Si4Rh4
12
62
216.02
mp-17727
9.134318
1.914649
-0.462493
other
Mn4B8F32
44
62
498.06
mp-8725
-3.792793
-0.955292
-5.158189
other
Hf4Sn4S12
20
62
492.47
mp-1368210
5.825891
11.370086
-1.085602
other
Ca4Ni4O12
20
62
219.31
mp-27123
8.348665
2.310931
2.542924
other
Er12Se12F12
36
62
745.92
mp-504984
-5.523985
-3.166736
4.890558
other
U4Si4Ni4
12
62
186.94
mp-1200659
8.521829
11.675855
-0.803847
other
Ce4Rh8O20
32
62
363.93
mp-1246603
-5.343661
-1.940643
-1.410996
other
Nb16Te12N8
36
62
763.09
mp-1029420
1.095373
2.408786
1.588092
other
Rb4Co4N4
12
62
246.78
mp-21659
-5.94454
-3.073457
3.784278
other
Hf12Nb8Ge16
36
62
645.57
mp-674347
-6.431525
-5.999425
3.823418
other
Yb16Mg4Ge16
36
62
870.28
mp-540773
-3.443682
-1.75523
-5.635155
other
Ca8Ge4S16
28
62
714.75
mp-1209521
1.218952
2.189802
-5.677061
other
Rb8Sm4Cl20
32
62
955.42
mp-562260
11.000412
4.01644
-7.156981
other
Ca4S4O16
24
62
293.64
mp-22063
-3.130719
-2.379703
-4.625575
other
U4Cr4S12
20
62
394.15
mp-1347716
6.970362
9.535421
-1.554302
other
Ca4Ag8O16
28
62
360.33
mp-1213717
8.155043
1.143829
1.083055
other
Cs8Sb4F20
32
62
744.18
mp-23041
-1.24504
1.848685
-3.512007
other
Sb4S4I4
12
62
381.28
mp-2719342
12.336224
6.418087
0.043991
other
Ca8Si4O16
28
62
374.79
mp-1212726
-5.971426
-3.158278
-2.406189
other
Ga12Te12Cl4
28
62
866.5
mp-1215117
-8.012704
-5.216082
3.004985
other
Ce12Sn24Pd16
52
62
1,230.67
mp-561290
8.223421
1.247628
1.178137
other
K8Bi4F20
32
62
551.91
mp-1179023
-5.538112
-5.72191
0.637736
other
Sr4Zn4Sb8
16
62
451.71
mp-1046804
12.853381
10.290244
0.258302
other
Al4W4O12
20
62
251.26
mp-19806
-5.906291
-3.185014
4.892292
other
U4Si4Ir4
12
62
220.25
mp-1368992
8.902255
14.029176
-0.737097
other
Mn4Al4O12
20
62
200.73
mp-554001
-2.560071
-3.08696
-5.311357
other
Nd12S12N4
28
62
650.27
mp-755428
-0.201267
2.370937
-4.244497
other
Rb12Cl4O4
20
62
591.98
mp-780387
9.843377
9.179098
2.711802
other
Yb4Hf4O12
20
62
252.09
mp-1102132
-5.773266
-2.03537
4.777694
other
Zr4Cr4Si4
12
62
187.16
mp-1212898
-4.993736
-3.833462
5.831454
other
Dy4Si4Ni4
12
62
201.67
mp-1197848
-4.444377
-2.758433
-3.557302
other
Cs20As20Se36
76
62
2,889.63
mp-1369159
6.198248
13.162763
-1.970801
other
Zn4Co4O12
20
62
182.56
mp-23532
8.133397
11.378986
-0.763439
other
Ni4Bi4O12
20
62
238.69
mp-1200384
-6.669073
-2.977193
4.633171
other
Hf24V16Ga32
72
62
1,231.03
mp-1178360
9.842885
8.400154
2.136427
original
Dy4In4O12
20
62
265.36
mp-757006
6.976036
13.694686
-2.024352
other
Be4Co8O16
28
62
242.22
mp-1101461
10.044213
8.745598
1.15362
other
Rb8Zr4O12
24
62
469.14
mp-1095692
-7.871397
-2.717669
5.474752
other
Er4Co4Ge4
12
62
201.32
mp-1100376
-3.474879
-1.509022
-5.72868
other
Ca4Sn12S28
44
62
1,230.73
mp-1209843
-8.307379
-4.205897
5.449921
other
Nd4Al4Rh4
12
62
243.04
mp-1232217
-3.200735
-2.145569
-5.274132
other
Yb8Mg4S16
28
62
684.42
mp-1200071
-4.160612
-3.893825
-3.607323
other
Gd8Zr4Se20
32
62
760.29
mp-767632
14.517283
9.058261
-5.581614
other
V4P4O16
24
62
263.14
mp-759302
7.659713
8.670256
-2.036849
other
Yb8Ti4O20
32
62
446.15
mp-18040
8.433263
1.257991
1.938526
other
K4Pr4F16
24
62
366.81
mp-1202319
-3.708638
-4.661434
0.680786
other
Cs20Ge4P12
36
62
1,365.4
mp-1095472
-7.521671
-2.688283
4.245239
other
Zr4Ge4Ir4
12
62
201.55
mp-771967
1.101959
1.668069
-5.172707
other
Ba8La8Cl40
56
62
1,657.04
mp-1192081
2.510442
2.950881
-4.032507
other
Ga4N4Cl16
24
62
786.68
mp-1245849
0.509389
2.656529
1.73724
other
Mn4Ni8N8
20
62
198.18
mp-1227486
-3.831316
-1.596626
-5.018836
other
Bi4Sb4S12
20
62
527.8
mp-1188225
11.911496
10.695955
1.138091
other
Sm4V4O12
20
62
233.71
mp-13374
9.809484
8.382675
3.132601
other
La4Tm4O12
20
62
300.14