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-1246076
2.134971
2.351586
1.378643
other
Si4Pb10N12
26
15
481.63
mp-9750
12.102501
7.147375
-6.538726
other
Sb2P2O10
14
15
173.37
mp-558785
11.510592
11.056394
-3.938301
other
Nd12Mo20O78
110
15
1,776.03
mp-1246860
1.529957
1.776444
2.002934
other
Sr6Ti4N8
18
15
298.94
mp-1200369
7.083111
7.589711
-3.459834
other
Zn4S4O40
48
15
650.93
mp-19427
8.301066
10.441529
-0.200725
other
Na14Co4O12
30
15
417.46
mp-3788
12.503517
7.249784
0.915427
other
Sr2Al8O14
24
15
314.05
mp-1202718
10.708849
7.21082
-5.498217
other
Th2P8O24
34
15
596.33
mp-753831
9.57471
0.698597
-0.466895
other
Cu12O6F12
30
15
331.51
mp-865834
5.619425
4.856
1.662347
other
Yb6Ge2O2
10
15
201.3
mp-1246757
2.1185
2.351158
1.388597
other
Al4Pb6N8
18
15
340.54
mp-5575
10.474324
10.620052
3.289325
other
Gd2Ta2O8
12
15
151.71
mp-1196249
-7.748227
-2.480768
3.044736
other
Ti22Ni18Pt8
48
15
685.67
mp-1143048
13.645988
8.03123
-1.266435
other
Si4Mo2O12
18
15
226.64
mp-1042896
9.961102
7.970057
-2.296939
other
Ge4Bi2O12
18
15
278.65
mp-542013
-4.644542
-2.399623
-3.316111
other
Rb8Zr6Se28
42
15
1,318.47
mp-1204504
7.747473
5.845019
-4.898581
other
U4C8O24
36
15
585.21
mp-26908
11.245133
7.87311
-7.266346
other
Cr2P8O24
34
15
441.92
mp-10318
-5.261257
-3.073411
5.800828
other
Tb4Co6Si10
20
15
301.06
mp-1181551
8.301391
9.830683
2.135911
other
La16Cu14O38
68
15
905.22
mp-756420
14.623422
8.31842
-5.401679
original
Cr4P2O10
16
15
187.45
mp-1305204
12.71953
7.963659
-7.954348
other
Mn4P2O10
16
15
192.06
mp-7499
-3.60108
-1.549275
-5.68784
other
Tl4Sn4S10
18
15
481.68
mp-557920
12.817668
5.91854
-6.224338
other
Zn6P4O16
26
15
334.04
mp-1210164
6.045855
5.25297
-4.416209
other
Ni2N8O16
26
15
407.97
mp-1101356
1.080623
1.644511
-5.129995
other
Sr2La2Cl10
14
15
377.54
mp-1208709
13.91652
4.417117
-2.013008
other
Tb20B40O90
150
15
1,385.05
mp-28744
-0.072577
0.577625
-2.818697
other
Y8Os2Br8
18
15
519.8
mp-755188
10.542901
1.936809
2.178554
other
Li2Fe4F10
16
15
171.16
mp-4344
10.548308
10.450454
3.29991
other
Ho2Ta2O8
12
15
145.38
mp-697331
3.171022
-0.756122
-2.089252
other
Mg8Ni4H16
28
15
265.92
mp-26322
13.017763
8.1544
-7.28194
other
V2P8O24
34
15
502.76
mp-1214952
5.439371
4.051094
-4.468674
other
Cd2C12O12
26
15
2,146.44
mp-1194242
1.612256
2.902991
-4.854734
other
Fe4W4Cl20
28
15
662.72
mp-574571
1.284964
2.385352
-5.861814
other
Rb12Y4Cl24
40
15
1,294.23
mp-1246344
5.478114
2.210025
-2.998394
other
Os4C6N12
22
15
243.33
mp-1102997
10.650107
11.689773
-3.145298
other
V2Bi2O8
12
15
196.76
mp-1180142
7.209049
6.578835
-4.529452
other
Mn2C2O6
10
15
187.95
mp-755303
9.71572
12.447269
0.837506
other
Ta2Fe2O8
12
15
125.88
mp-1048784
8.296535
1.389473
0.871759
other
Zn2Bi2F10
14
15
242.2
mp-1247393
0.499401
2.25747
1.946457
other
Cs4Re8N12
24
15
464.44
mp-675545
8.339086
1.737878
0.428763
other
Ta2Hg4F12
18
15
355.04
mp-768444
10.608673
8.349088
-7.741233
other
Mn6P6O24
36
15
436.51
mp-624000
-3.090803
-0.081928
-2.792379
other
Re4Te32Cl24
60
15
2,068.58
mp-1213797
1.303623
2.525502
-6.116471
other
Cs12Er4Cl24
40
15
1,421.83
mp-571162
2.212535
1.968805
1.5649
other
Ca6Ga4N8
18
15
247.28
mp-752705
13.282978
6.685942
-7.008186
other
Ti2P8O24
34
15
432.89
mp-1105198
8.688406
1.219414
1.687381
other
Rb4Pa2F14
20
15
329.38
mp-1196324
8.575465
6.29302
-5.53019
other
Ag8S8O32
48
15
616.05
mp-555296
7.675954
8.936505
-1.646186
other
Yb2Ta2O8
12
15
151.98
mp-1232776
-6.112835
-5.695413
0.719107
other
Ca4Mn4Bi8
16
15
444.61
mp-7594
8.784031
0.653141
1.373448
other
Cs4Li4F8
16
15
280.88
mp-676365
9.804292
12.834184
1.053214
other
Li16Ti8O24
48
15
439.41
mp-35171
10.965957
11.90843
2.515834
other
Nb2O4F2
8
15
118.44
mp-1209881
1.665799
2.579445
-4.648199
other
Nb2Tl2Cl12
16
15
435.62
mp-1247510
0.674323
2.569752
1.739326
other
Co10Ge4N12
26
15
290.87
mp-1188364
-3.728123
-1.567481
-5.674048
other
Tl4Hg6S8
18
15
483.25
mp-641365
10.92884
11.011423
-2.222565
other
Pb2W2O8
12
15
179.12
mp-1246282
1.522938
1.918843
1.896343
other
Ba6Ti4N8
18
15
349.64
mp-989624
3.068366
2.637997
1.369178
other
Ti4P4N12
20
15
196.48
mp-1197503
8.77535
5.305494
-5.630695
other
S10I4O36
50
15
778.44
mp-1105692
-4.565625
-2.738467
-4.133368
other
Tl4Hg6Se8
18
15
526.67
mp-764782
11.323351
10.82622
-0.446573
other
Na10W2O10
22
15
310.42
mp-1215014
2.782514
2.890233
-3.740471
other
Cd2N24Cl12
38
15
6,688.62
mp-650015
4.410819
2.733124
-4.141756
other
P24N28Cl36
88
15
2,025.25
mp-1179149
11.442609
11.103681
-3.593277
other
Sr2Mo2O8
12
15
183.34
mp-569193
-4.379294
-2.651274
-3.379169
other
Cs8P4Se18
30
15
1,096.25
mp-27301
1.489496
2.675525
-5.732863
other
Rb6Au6Cl16
28
15
812.84
mp-25301
12.771436
6.521759
-0.945556
other
Ti2Si4O12
18
15
217.15
mp-1210368
6.147472
8.772087
-1.271959
other
Na8Pb4O12
24
15
310.63
mp-29306
6.393252
0.849069
-3.603066
other
B20H16N8
44
15
541.94
mp-1042897
11.724053
7.861236
-1.362683
other
Ge4Sb2O12
18
15
265.26
mp-4351
-2.858788
-0.690972
-5.383744
other
K4B4S14
22
15
505.66
mp-1046049
10.261106
10.917165
-1.457329
other
Ta4Te2O16
22
15
319.89
mp-1246196
0.668255
2.441116
2.009435
other
Sc4Co6N8
18
15
184.26
mp-1198328
7.215755
6.132672
-4.511982
other
Cd6S6O40
52
15
952.42
mp-1209546
1.25608
2.341491
-5.842275
other
Rb12Sm4Cl24
40
15
1,325.94
mp-776627
10.115399
0.538101
0.663223
other
Li18Fe6F36
60
15
600.61
mp-1189305
-4.80003
-5.187511
0.496692
other
Sr6Al4As8
18
15
486.41
mp-1048924
10.428665
8.237712
-7.136254
other
Fe8P8O32
48
15
618.45
mp-18100
-4.629386
-2.989949
-3.791221
other
Na12Ge4Se14
30
15
790.56
mp-1213585
8.225166
10.647312
-0.097234
other
Eu8W4O24
36
15
505.36
mp-756643
9.944886
2.785246
1.982624
other
Li4V4F12
20
15
252.65
mp-1247069
2.250552
2.214715
1.415782
other
Cd6Ga4N8
18
15
258.55
mp-989604
0.863445
2.584608
1.822479
other
Y4Mo4N12
20
15
298.76
mp-579058
-3.280558
0.524216
-4.015445
other
Cs8Tc12S26
46
15
1,176.18
mp-581795
10.515987
9.414596
-1.9115
other
Er4Te8O22
34
15
481.11
mp-1212563
7.404554
2.06625
-4.546047
other
H8C4N20
32
15
338.8
mp-696822
6.850007
5.753363
-3.512875
other
Li2N2O6
10
15
92.27
mp-680400
-3.397444
-0.775827
-4.825337
other
K12Ta8S44
64
15
1,704.75
mp-1189563
7.176491
10.230295
-0.757562
other
Cs4Co4O8
16
15
305.71
mp-1196468
7.489467
6.789439
-4.56631
other
Pr4S6O40
50
15
808.04
mp-570853
-1.063686
1.659948
-1.748236
other
Sr2Ce2I8
12
15
479.19
mp-1246853
2.239792
2.024004
1.775503
other
Mg6Sc4N8
18
15
212.67
mp-1182355
1.026914
1.798661
-5.222446
other
Gd4S2Cl8
14
15
445.42
mp-756245
-1.181445
1.910196
-1.732429
other
Ba2Y2I10
14
15
552.16
mp-558934
8.863071
8.424439
-1.650397
other
Hg36Cl12O12
60
15
1,492.63
mp-1214604
8.34792
6.672799
-4.092546
other
Ca6B12O40
58
15
776.9
mp-766081
13.894488
8.071544
-5.685383
other
P8W2O24
34
15
469.4
mp-17911
9.214537
8.795948
1.997041
other
Ba8Zn4O12
24
15
424.97