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-1275135
8.80549
14.432533
-0.113068
other
Li8Mn4O8F4
24
15
226.12
mp-1202923
10.422064
4.024786
-4.904539
other
Ho4H32S6O40
82
15
827.78
mp-1180982
5.755828
3.266658
-4.68121
other
K4Co4C16O16
40
15
761.99
mp-1197285
13.813068
4.278444
-2.183067
other
Rb4Cd4B12O24
44
15
636.7
mp-567424
-4.486754
-5.632261
0.512495
other
K32Nb4As20Pb4
60
15
2,064.54
mp-26269
12.055935
7.589139
-7.555623
other
Li2Fe2P8O24
36
15
444.52
mp-559460
12.907205
6.293201
-0.782364
other
Cs4Ti2Si12O30
48
15
720.99
mp-541202
11.235075
7.691232
-4.253125
other
Tl4Cu4As4O16
28
15
476.67
mp-757669
8.474749
3.603905
-7.013419
other
Li4Cu4C8O20
36
15
460.35
mp-1045955
10.822668
11.886636
2.514842
other
Mg4Ta4Cu2O16
26
15
300.58
mp-680340
-0.870298
0.907832
-3.725573
other
Nb12Tl6S2Br34
54
15
1,892.48
mp-1199764
6.355676
5.092151
-4.517957
other
Cs4Nd2N10O34
50
15
934.64
mp-770848
9.360551
13.593133
-0.304678
other
Li4Ti2Co4O10
20
15
184.67
mp-1219299
9.662262
9.420138
0.501625
other
Sc4Mn4Bi8O24
40
15
538.24
mp-1209266
10.763239
11.035063
-3.583929
other
Rb2Lu2Mo4O16
24
15
322.83
mp-1211455
10.939612
11.006149
-3.637958
other
K2Gd2Mo4O16
24
15
335.94
mp-1211338
8.736453
3.586511
-7.033082
other
K2Tm2C4O12
20
15
260.97
mp-6678
-3.526369
-1.46781
-5.598886
other
K4Hg4Sb4S12
24
15
705.84
mp-683863
13.988673
8.605814
-6.453563
other
V12P16Pb8O68
104
15
1,406.5
mp-1237705
5.558182
3.082157
-3.647722
other
As8C16S8O4
36
15
899.29
mp-1043203
12.059381
7.579057
-1.204544
other
Ca2Co2Ge4O12
20
15
247.71
mp-1211391
11.063498
11.052525
-3.689129
other
K2Pr2Mo4O16
24
15
350.98
mp-696618
12.511985
4.187711
-3.102052
other
Ca2B4H8O12
26
15
219.13
mp-1046752
12.328458
11.170454
2.086749
other
Ti2Nb4Zn4O16
26
15
304.5
mp-1199461
7.408434
7.065783
-4.59587
other
Mg4Cu4C2O22
32
15
438.94
mp-1200105
-4.767163
-2.822426
-3.760196
other
K6Ta4Cu6Se16
32
15
900.06
mp-781681
11.959702
7.715731
-7.691103
other
Li2Mn2P8O24
36
15
480.47
mp-1210121
13.906162
5.06778
-6.900172
other
Na2Th4P6O24
36
15
488.25
mp-1188898
8.738257
3.590624
-7.146445
other
Li2La2C4O12
20
15
225.18
mp-19446
13.41701
7.205794
-0.853579
other
Ca4Mn4Si8O24
40
15
482.14
mp-1020596
11.774617
7.433641
-0.926283
other
Na2Ga2Ge4O12
20
15
238.79
mp-1194900
-4.495588
-5.610859
0.509598
other
K32Nb4Sn4As20
60
15
2,051.79
mp-759289
12.821198
6.696209
-6.596895
other
Li2Bi2P8O24
36
15
488.75
mp-766259
10.025629
3.049569
-3.915029
other
Sn2H20Cl8O10
40
15
538.37
mp-560853
-2.86125
-2.251652
-5.923548
other
Tb6Si4S16I2
28
15
639.96
mp-1101655
14.921091
6.968672
-2.188215
other
Na4Fe4B4O12
24
15
258.4
mp-26521
14.139476
7.854252
-5.801725
other
Li2Mo2P8O24
36
15
485.7
mp-542271
10.41517
4.044699
-4.957288
other
Y4H32S6O40
82
15
818.73
mp-1202648
12.085235
6.706606
-1.210151
other
Na4Be4Si12O32
52
15
651.94
mp-1180558
5.895631
5.638147
-4.067567
other
Mg2Hg4Br12O12
30
15
691.05
mp-1200406
10.1182
3.100689
-3.960091
other
Sn2H20Br8O10
40
15
597.32
mp-754952
9.62378
13.986546
-0.514152
other
Li4Cr2Fe2O8
16
15
142.59
mp-1040902
14.733756
7.980833
-5.389896
other
Mg4Cr8P8O32
52
15
639.59
mp-1207528
10.346245
3.794637
-4.79477
other
Zn14H20C4O32
70
15
677.87
mp-1045783
13.611905
7.202026
-6.995347
other
Mg2Mn2P8O24
36
15
458.63
mp-759341
12.631704
7.171197
-7.171276
other
Li8Cu2P12O36
58
15
676.26
mp-558324
12.386159
7.324994
-6.981729
other
K8Ni16P16O60
100
15
1,289.3
mp-1214298
9.264624
1.919542
1.361868
other
Ba4V4Cd4F28
40
15
601.47
mp-23618
8.983177
10.734549
-0.089021
other
Mn2Ni2Bi4O12
20
15
242.86
mp-1040914
12.078593
7.362339
-7.094138
other
Ca4Ni8P8O32
52
15
629.47
mp-555598
13.209607
6.103237
-6.666001
other
K2Gd2P8O24
36
15
498.83
mp-1211370
8.478884
2.135855
-1.072193
other
Np2Fe2O6F12
22
15
349.26
mp-554826
12.005641
6.919025
0.625308
other
Pr6Si4Cl2O16
28
15
402.19
mp-757807
12.640008
7.604653
-7.574644
other
Li4Co2P4O14
24
15
284.49
mp-558850
10.966499
11.333424
-1.970809
other
Rb2Nd2W4O16
24
15
349.96
mp-1227362
13.211334
6.17169
-6.633631
other
Ca2Y2P14O40
58
15
873.68
mp-504882
10.753217
9.34901
-0.389243
other
Ca2Sb20S12O20
54
15
1,140.45
mp-24090
9.649676
2.975059
-3.775346
other
Ba2H8I4O4
18
15
349.73
mp-1195546
-2.634328
-0.632236
-5.426454
other
Tl10Ag6P8S24
48
15
1,226.77
mp-1211658
10.908796
11.052166
-3.657068
other
K2Dy2Mo4O16
24
15
329.25
mp-1200438
11.578503
11.064875
-3.715288
other
Er4Sb4Mo8O36
52
15
833.57
mp-555082
13.793556
5.12964
-2.276937
other
Cs2Li10B4O12
28
15
341.79
mp-26367
11.50988
7.929588
-8.119085
other
Li6Mn4P6O24
40
15
431.73
mp-1212532
8.046325
2.197398
-4.632463
other
H12C4N16O4
36
15
446.16
mp-1203834
7.680364
4.332379
-4.592318
other
Cu4H20N8O34
66
15
685.23
mp-560523
-2.887596
-2.145057
-5.847338
other
La6Si4S16Br2
28
15
689.64
mp-16802
14.347373
8.339221
-5.077846
other
Ba2Mo4P8O28
42
15
588.43
mp-1040887
14.591275
8.582525
-3.798408
other
Mg4V8P8O32
52
15
615.77
mp-554266
7.446001
10.398884
0.902879
other
Ba6Sr2Ir4O18
30
15
480.76
mp-1182045
9.178535
4.912307
-4.174095
other
Co2H20Se4O20
46
15
537.22
mp-776557
14.598125
8.306144
-6.259778
other
Na6V4P6O24
40
15
497.4
mp-8923
0.906554
2.264237
1.654846
other
Sr4Li2Fe4N6
16
15
240.94
mp-1295085
8.798125
14.422512
-0.10936
other
Li8Mn4O8F4
24
15
228.05
mp-697787
11.408485
7.992306
-7.602067
other
Li4Cr4P8O28
44
15
584.57
mp-26870
10.299305
8.285545
-6.744007
other
Li2Cr4P6O24
36
15
422.4
mp-756249
12.276863
7.011204
-1.398779
other
Li8Si8Ni4O24
44
15
519.76
mp-26417
13.996164
7.207557
-6.565308
other
Li4Cr2P8O24
38
15
489.81
mp-974035
7.896426
6.410583
-2.878518
other
Pb6I4Cl8O12
30
15
637.64
mp-1190352
11.999599
7.341398
-6.299315
other
Hg2P4Pd2O14
22
15
315.8
mp-1191489
7.910144
8.120533
-3.071674
other
Ca2Al4O8F8
22
15
295.5
mp-556246
-2.882005
-2.213737
-5.881056
other
La6Si4S16Cl2
28
15
678.25
mp-1201310
10.550796
3.896556
-4.378636
other
Mg4H48S4O40
96
15
911.37
mp-556430
3.911691
3.024374
-3.942795
other
Te4S8N8Cl8
28
15
743.3
mp-558732
11.525971
7.549922
-7.539826
other
Ba2Fe4P8O28
42
15
547.38
mp-1195515
13.477439
6.766201
-0.598135
other
K8U4Si24O60
96
15
1,517.51
mp-1157680
13.43717
8.424278
-0.707683
other
Ca2Ti2Si4O12
20
15
235.8
mp-1180838
9.76768
1.586004
1.415704
other
Na16V8Co8F56
88
15
1,179.17
mp-638236
5.418401
3.262517
-4.547496
other
Os2C8Cl4O8
22
15
407.49
mp-698274
8.803889
2.990384
-5.025879
other
Zn2H16C8O16
42
15
410.58
mp-570531
2.648817
2.703064
-4.503507
other
Nb2P4N2Cl24
32
15
976.71
mp-26789
13.799508
7.661537
-6.895771
other
Li4Fe2P4O14
24
15
291.22
mp-1213379
10.775904
11.361417
-2.005337
other
Cs2Er2W4O16
24
15
338.97
mp-1177570
14.653599
8.524395
-6.474566
other
Li12V8P12O48
80
15
1,033.08
mp-17997
14.526415
7.682288
-4.992699
other
Ba2Ti4P8O28
42
15
567.22
mp-1042909
11.372678
10.798517
2.510133
other
Ca4Nb4Sn2O16
26
15
383.55
mp-1193386
7.402728
9.274478
-3.674422
other
Na2Cr4Fe2O20
28
15
400.6
mp-1022965
14.404289
8.112625
-6.196011
other
K6V4P6O24
40
15
539.07
mp-1176623
10.74525
7.860611
-7.017247
other
Li2Ni2P8O24
36
15
453.24
mp-1197807
7.55643
7.870082
-3.866481
other
Nd4Mo12Pt2O76
94
15
1,617.9
mp-504354
12.722301
6.550517
-6.625435
other
Li2Bi2P8O24
36
15
450.29