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-772229
11.274529
6.138741
-3.505962
other
Na12Ni4B8O24
48
14
554.82
mp-1181261
7.795007
4.620348
-5.938126
other
K16Ti8C32O92
148
14
2,311.38
mp-557792
2.260807
2.618185
-4.280437
other
Hf4S4Cl24O4
36
14
1,076.77
mp-1105650
2.959558
2.956571
-3.868645
other
Cu2C4N4Cl8
18
14
538.89
mp-1200375
7.767097
7.005694
-4.792858
other
Fe4Cu2S8O44
58
14
853.31
mp-542008
11.037706
7.806735
-5.181701
other
Li12Fe8As12O48
80
14
992.67
mp-1211600
9.100167
6.754302
-3.85849
other
K4Nd4Se8O32
48
14
741.61
mp-1042820
11.965213
7.565251
-4.201859
other
Zn4Fe4As8O28
44
14
542.25
mp-1189214
8.927306
11.4483
1.902798
other
Y4Mn2Cr2O12
20
14
232.5
mp-1044197
10.857879
11.598951
-3.100276
other
V4Zn4Bi4O20
32
14
470
mp-1041056
9.975715
9.73186
-2.093464
other
Mg4Cu8Te8O32
52
14
737.01
mp-757781
11.693647
7.274207
-1.385006
other
Li4Si8Bi12O36
60
14
879.73
mp-1210522
6.814982
6.536358
-3.93934
other
Rb4Mg2Cr4O28
38
14
733.87
mp-731668
8.952105
7.959791
-4.369855
other
Ca4Mn2As4O20
30
14
414.4
mp-1195974
12.074429
4.808144
-5.102752
other
Cs4P8H20O32
64
14
785.78
mp-557457
9.955848
6.921631
-3.335126
other
Tm4Se4O12F4
24
14
323.35
mp-583646
13.382522
4.773396
-1.563907
other
Na8Gd8B8O28
52
14
632.25
mp-567543
0.775685
1.948298
-4.813416
other
U2Hg6Te4Cl12
24
14
797.5
mp-1202413
8.014821
7.020464
-4.531503
other
Ca4U8Si8O64
84
14
1,360.76
mp-1209445
8.71293
5.807648
-6.158454
other
Rb4Tb4S8O36
52
14
814.94
mp-14552
10.337267
8.999441
2.391182
other
Ba4Sr2U2O12
20
14
347.78
mp-560414
8.2747
2.281802
-1.004713
other
Te16Mo4O20F80
120
14
2,250.55
mp-863753
-4.251214
-2.576557
-3.385674
other
Cs4Mn2P4Se12
22
14
714.05
mp-1205226
8.050868
2.930138
-1.303493
other
Zr4Cu6O32F28
70
14
1,191.34
mp-757925
7.895395
4.835257
-6.076556
other
Li4Ni8C8O32
52
14
521.48
mp-766021
7.606222
6.59202
-3.045092
other
K4H4I8O24
40
14
651.38
mp-1180014
5.890742
3.353831
-4.588128
other
Rh24C76N4O60
164
14
3,126.04
mp-1044167
7.111495
10.355122
-1.5031
other
Mg4Mn4Bi4O20
32
14
456.86
mp-770750
8.271974
13.39109
-0.598984
other
Li12Al4Fe8O24
48
14
505.58
mp-1196066
9.643738
3.405543
-5.041629
other
Co6H36C12O36
90
14
805.3
mp-603606
14.402359
7.722709
-5.956253
other
Li4Fe6P8O28
46
14
614.1
mp-1046926
14.109602
8.430375
-2.85788
other
Mg2Ti6P8O28
44
14
500.24
mp-752708
14.739789
8.513772
-3.911633
other
Li4V4P4O16
28
14
354.56
mp-1020018
10.323125
4.321405
-6.944957
other
Li20B4S16O64
104
14
1,242.54
mp-1202346
9.800279
4.711677
-4.229613
other
Mg2H32I4O32
70
14
673.95
mp-757426
13.690925
8.031119
-0.843373
other
Li8Fe4Si4O16
32
14
373.62
mp-1201785
13.612733
4.392735
-2.573781
other
Sm4B36H24O72
136
14
1,300.1
mp-759155
8.998077
3.569457
-7.453202
other
Li8Fe8C8O28
52
14
631.14
mp-1215102
10.956569
12.209831
-3.52573
other
Ba8Er4V12O44
68
14
1,061.94
mp-722351
7.85888
1.660845
-4.119959
other
H12Pb4S8N12
36
14
615.17
mp-1210464
13.388729
4.84308
-1.426692
other
Na8Nd8B8O28
52
14
663.26
mp-1287594
7.031193
11.19113
0.227469
other
Ca8Co4Ir4O24
40
14
472.08
mp-861278
9.847264
8.302946
-6.958119
other
Mn8P8O32F8
56
14
700.03
mp-561712
13.146024
6.02201
-6.807781
other
Cs4Er4P16O48
72
14
1,000.45
mp-570211
4.564802
2.820332
-3.546294
other
Hg2C4Se4N4
14
14
347.19
mp-1181036
8.709556
6.904866
-5.265163
other
Li4P12N8O44
68
14
1,034.68
mp-1347979
12.450242
10.700647
0.242949
other
Ca4Mo2W2O12
20
14
254.73
mp-558692
8.179729
2.432744
-1.052467
other
Sb8Cl4O8F44
64
14
1,100.1
mp-1043188
13.466741
8.713606
-0.893567
other
Mg4V4Ge8O24
40
14
484.92
mp-1203323
11.247896
8.313102
-3.313751
other
Te4As4H4O20
32
14
459.48
mp-1344776
12.149651
10.776636
-0.652314
other
Mg4Sb2W2O12
20
14
243.18
mp-1198900
8.240024
2.149476
-0.813779
other
Cd4Sb20O4F112
140
14
2,408.18
mp-720736
9.545074
4.261934
-4.318458
other
Ba8B16H64O64
152
14
1,806.06
mp-757096
14.762708
7.876799
-5.589288
other
Li12Cr12P12O48
84
14
1,028.42
mp-1047900
9.207912
2.131458
1.542529
other
Ba4Mg4W4F28
40
14
581.08
mp-720843
9.71116
2.591428
-4.388762
other
H40S4N8O16
68
14
729.56
mp-696987
8.541306
3.585986
-6.16533
other
Cs4H4C8O16
32
14
518.69
mp-1219682
14.406479
6.603982
-5.962658
other
Rb4Nb12P12O60
88
14
1,336.27
mp-557917
8.182992
2.343614
-1.158627
other
Sb4I4O8F32
48
14
765.14
mp-18267
9.459743
6.991936
-3.52093
other
La4Cu2Se8O24
38
14
623.46
mp-1204261
3.124597
3.1651
-3.944543
other
Ru4N12Cl16O8
40
14
1,108.6
mp-560021
8.772917
5.288529
-5.588042
other
Au4S12O36F12
64
14
1,077.73
mp-758212
12.692934
6.927268
-1.365508
other
Li8Co8Si12O36
64
14
872.86
mp-1223350
8.210654
10.728104
1.938796
other
La8Ga4Fe4O24
40
14
494.42
mp-559282
8.53567
1.839239
-0.331227
other
Cd4B8Xe4F40
56
14
855.4
mp-1227496
10.023939
9.809103
3.441593
other
Ca4Gd2Ta2O12
20
14
272.8
mp-1205210
10.01664
5.811996
-4.155603
other
Nd4Re12H24O60
100
14
1,376.98
mp-565390
5.457122
3.36147
-4.316334
other
Cr4C28N8O20
60
14
1,068.32
mp-1195548
11.802972
7.275089
-3.853569
other
K8Th4As8O32
52
14
827.53
mp-768820
13.9365
5.013557
-2.245284
other
Li12Bi4B8O24
48
14
537.92
mp-26853
13.331438
7.865732
-7.44842
other
Li4Cr4P8O28
44
14
470
mp-1214681
6.173445
3.211068
-3.477296
other
C40S4Cl48O12
104
14
2,126.99
mp-562403
8.454916
1.637221
-0.153221
other
Cs4As4O4F16
28
14
466.61
mp-1209351
8.535909
10.35097
1.65788
other
Pr4Zn2Pt2O12
20
14
257.8
mp-1212599
-3.343202
-0.809989
-4.959635
other
K16Ba8Nb16S88
128
14
3,400.07
mp-20113
11.888462
7.251809
-7.415889
other
Cs4Fe4P8O28
44
14
649.62
mp-1204893
6.882733
1.857221
-3.823039
other
Cu2H12C8N16
38
14
504.01
mp-1205005
7.874295
1.777684
-4.552894
other
H32C16N24Cl8
80
14
991.71
mp-1344771
12.227784
11.584026
-1.010264
other
Mg4Ir2W2O12
20
14
216.82
mp-1181308
10.661467
10.755227
-3.54493
other
K4U4V4O24
36
14
622.77
mp-707095
10.976678
4.033032
-6.720194
other
Y8H8S8O40
64
14
737.29
mp-863290
8.207577
6.650341
-5.411119
other
Rb20Fe12S24O120
176
14
3,061.02
mp-1180466
5.456076
2.913991
-3.542723
other
Ni4P4C20O8
36
14
850.19
mp-1197108
5.410027
-0.420787
-3.056781
other
K8Cd4B16H64
92
14
1,115.64
mp-26040
10.043679
8.317705
-6.892262
other
Li4Mn8P12O48
72
14
821.61
mp-1210883
10.394223
10.090233
1.533144
other
Nd28V8B4O68
108
14
1,589.86
mp-559889
5.729651
3.100392
-3.882447
other
C8S8N8Cl8
32
14
661.08
mp-542079
-4.25189
-2.578978
-3.392347
other
K12La4P8Se32
56
14
1,777.13
mp-1205448
11.834449
4.735103
-4.963538
other
Fe2P4H16O20
42
14
396.67
mp-1214500
-3.107402
0.321948
-3.542389
other
Cs16Re24Se32I24
96
14
3,571.56
mp-757240
11.887033
7.586669
-7.839753
other
Li24Fe8P16O64
112
14
1,266.99
mp-26223
12.302546
7.192455
-7.541523
other
Li16Cu4P8O32
60
14
672.91
mp-16955
9.007617
11.532334
0.041721
other
K8Li12Fe4O16
40
14
522.45
mp-733614
10.218194
3.424268
-4.712499
other
H32S4N8O24
68
14
598.96
mp-1201547
11.625733
7.024606
1.476678
other
Ho16B4Cl4O28
52
14
732.65
mp-757901
14.056537
7.166332
-5.419665
other
Li12Sn12P12O48
84
14
1,179.8
mp-1019583
12.591338
6.833824
-0.10853
other
Ca4Al8Si4O24
40
14
437.77
mp-557927
11.117024
12.324135
-3.225913
other
Na8Sr4V12O36
60
14
852.38
mp-849397
11.813514
7.700181
-7.655027
other
Li4Mn4P16O48
72
14
949.1
mp-1188447
10.085241
9.822872
3.497408
other
Ca4Ho2Ta2O12
20
14
266.16