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-26997
11.103917
7.923107
-7.246981
other
Li4Co4P16O48
72
60
992.65
mp-1197441
8.11803
2.909314
-1.416587
other
Ga4N8O4F20
36
60
536.52
mp-1205240
8.06022
0.707804
-4.021373
other
Al8B24H240N48
320
60
2,834.66
mp-684506
12.811659
6.619012
-6.479522
other
Li4Bi4P16O48
72
60
1,124.46
mp-602551
10.838473
10.931863
-3.958926
other
Eu4Tl4Mo8O32
48
60
851.83
mp-1196876
7.957659
7.709111
-4.301754
other
Ca4U8V8O68
88
60
1,356.3
mp-760234
15.056746
8.316094
-5.581546
other
Li16V8P12O48
84
60
977.67
mp-25977
12.182402
7.597509
-7.559234
other
Li4Fe4P16O48
72
60
1,008.52
mp-1211734
11.244587
11.141681
-3.900324
other
K4Lu4Mo8O32
48
60
751.77
mp-1193106
7.05189
1.347251
-3.805227
other
Li8Mg4H8N8
28
60
262.72
mp-1197507
10.860214
8.531093
-4.363819
other
Sr8Mo32H32O120
192
60
2,397.05
mp-849334
9.787314
8.132536
-6.102715
other
Li8Fe8P12O48
76
60
931.62
mp-1200267
8.27431
2.191111
-0.731668
other
Li8Ti8N8F48
72
60
1,018.32
mp-1193654
-3.161697
-1.138714
-5.631627
other
Cs8Mo4S8O8
28
60
868.16
mp-555027
10.846698
7.948364
-1.657703
other
Cd4Ge4Bi8O24
40
60
625.6
mp-1211523
11.399199
11.100526
-3.891761
other
K4Sm4Mo8O32
48
60
802.1
mp-1197890
14.350111
7.097675
-5.996903
other
Li8Ti8P12O48
76
60
925.44
mp-15093
13.77361
6.178082
-6.830324
other
Zr8P8W4O48
68
60
1,120.16
mp-554207
9.866934
9.009148
-0.227707
other
Ta4Bi16Br4O32
56
60
896.95
mp-558137
13.423949
4.945085
-2.326918
other
Al8B8Pb8O32
56
60
650.12
mp-1178040
7.870441
10.302582
-3.809275
other
Li8Cr12Cu8O48
76
60
1,065.72
mp-1175116
3.88759
23.37657
-1.254919
other
Li7Mn2Co3O12
24
6
217.18
mp-1227775
10.01068
9.633575
4.020377
other
Ba1Sr3Zr4O12
20
6
293.12
mp-2220549
13.408897
0.570932
1.523175
other
Mg1Fe8O8F8
25
6
294.99
mp-850908
11.537114
11.277411
-2.46194
other
Li2Mg11W12O48
73
6
1,009.41
mp-1218581
11.205274
12.005939
-0.175988
other
Sr1Ca3V4O12
20
6
229.17
mp-1100567
3.536944
23.533348
-1.423016
other
Li9Mn2Co5O16
32
6
293.08
mp-1220145
9.345845
7.475183
-2.035627
other
Pb12Br1Cl7O8
28
6
703.78
mp-1100572
3.82883
23.23868
-1.338163
other
Li9Mn2Co5O16
32
6
289.45
mp-1227010
-7.537549
-4.315413
5.055327
other
Ce6Al3Ga3Ni6
18
6
333.97
mp-1100648
3.622864
23.477583
-1.396261
other
Li9Mn2Co5O16
32
6
289.59
mp-2217139
8.979945
9.112544
1.364072
other
Ba2Mg1Ag2O4
9
6
177.29
mp-1223533
-6.111273
-2.263666
1.185725
other
La4Zr8Ni15As16
43
6
730.12
mp-1234994
11.709339
7.847851
-4.092363
other
Mg1Ta4As4O20
29
6
468.74
mp-1222923
7.937874
11.798308
2.162307
other
La1Pr3Mn4O12
20
6
248.18
mp-1218494
9.91357
9.691708
4.026853
other
Sr3Ca1Hf4O12
20
6
274.15
mp-1233153
8.255696
9.128395
-1.528656
other
Mg1Al4Tl4O12
21
6
264.41
mp-1233249
8.879397
10.40101
1.290072
other
Nd4Mg1Rh4O12
21
6
267.38
mp-1175136
3.909876
23.472202
-1.232529
other
Li7Mn2Co3O12
24
6
215.91
mp-759074
6.526466
14.160139
-1.585727
other
Li6Fe3Co5O16
30
6
288.86
mp-753208
12.719697
11.674966
0.893113
other
Li4Ti3V1O8
16
6
174.38
mp-2229992
13.298147
0.726009
1.696394
other
Mg1Fe6O6F6
19
6
225.5
mp-1233218
11.10046
8.543826
2.475894
other
Sm4Tm4Mg1O12
21
6
299.31
mp-2225297
10.496501
2.275443
2.006444
other
Mg1Fe2O2F2
7
6
94.95
mp-2228389
8.758862
14.885937
-1.181857
other
Mg1Mn6O10F2
19
6
225.29
mp-567838
-9.30059
-1.380692
2.913639
other
La2Al1Ni9H1
13
6
175.74
mp-1223133
7.948205
11.754456
2.187292
other
La3Pr1Mn4O12
20
6
251.17
mp-1218487
9.552045
9.546236
1.087374
other
Sr1Ca3Sn4O12
20
6
261.84
mp-1229324
-5.873168
-5.493671
3.462052
other
Ba16Zn9Ge80Pd3
108
6
2,603.38
mp-2231136
6.489182
13.277081
-2.402709
other
Mg1Co6O10F2
19
6
193.01
mp-2228334
13.260852
0.882775
1.783662
other
Mg1Fe6O6F6
19
6
231.44
mp-2220561
13.4338
0.578479
1.513103
other
Mg1Fe8O8F8
25
6
307.75
mp-2230256
6.472279
13.278329
-2.411524
other
Mg1Co6O10F2
19
6
192.69
mp-1234113
12.90022
12.122678
-0.470237
other
Mg1V8Zn4O16
29
6
322
mp-1218377
1.109065
2.105504
-1.38285
other
Sr1Ca3Br2N2
8
6
174.99
mp-2220314
13.448824
0.502098
1.345317
other
Mg1Fe12O12F12
37
6
435.3
mp-2230246
13.154842
0.851931
1.631007
other
Mg1Fe6O6F6
19
6
238.78
mp-758450
8.316594
3.874838
-6.941684
other
Li2Cu6C6O18
32
6
374.25
mp-1227856
10.145472
11.201375
2.880816
other
Ca3Ti4Pb1O12
20
6
235.94
mp-2230603
13.278979
0.833136
1.727483
other
Mg1Fe6O6F6
19
6
224.91
mp-1220917
11.296199
13.16077
-2.492316
other
Na1V4Cd3O12
20
6
220.32
mp-1100610
3.901623
23.008116
-1.342242
other
Li9Mn2Co5O16
32
6
288.49
mp-1223403
11.92776
11.243407
-2.38683
other
K1P2W6O22
31
6
450.25
mp-2227123
10.168468
11.082735
-0.459092
other
Mg1Sb1Rh1O4
7
6
94
mp-2230749
13.258036
0.865765
1.757843
other
Mg1Fe6O6F6
19
6
231.6
mp-1239152
-4.893363
-0.472034
-5.470855
other
Hf4Cr4Cu4S16
28
6
512.64
mp-1100608
3.956206
22.903002
-1.335641
other
Li9Mn2Co5O16
32
6
287.58
mp-2226818
8.756183
14.838577
-0.503462
other
Na2Mg1Mn4O8
15
6
175.61
mp-2225274
-6.608776
-2.535905
-0.261047
other
Mg1Co2Sb2S2
7
6
130.74
mp-2220785
13.424232
0.574413
1.508207
other
Mg1Fe8O8F8
25
6
309.83
mp-1216109
8.939665
1.858147
1.371711
other
Zr3Nb1Cr4F24
32
6
546.79
mp-1225149
11.925169
6.660755
0.516828
other
Gd10Si4B2O26
42
6
526.81
mp-2230283
5.829155
12.316897
-2.012727
other
Mg1Fe6O10F2
19
6
215.77
mp-1227117
11.870162
10.102182
2.430223
other
Ca1Y3Ti4O12
20
6
233.35
mp-1217870
-7.429455
-6.375051
5.896916
other
Tb24Fe3Co1Bi8
36
6
1,025.95
mp-1174032
3.437389
22.354628
-1.536897
other
Li5Mn1Co2O8
16
6
141.76
mp-2229211
12.554242
6.670234
-3.786742
other
Mg1Fe4H4O8
17
6
178.89
mp-2228362
12.554874
-0.888628
1.043212
other
Mg1Mn6O6F6
19
6
234.85
mp-2230062
9.100029
8.764886
1.182727
other
Ba5Mg1Bi3O11
20
6
416.39
mp-541550
12.925366
7.121782
-0.467275
other
Mg16Si8H1O32
57
6
614.94
mp-1100594
3.857193
23.132755
-1.34358
other
Li9Mn2Co5O16
32
6
289.88
mp-1176750
14.268332
7.433586
-5.161382
other
Li2Cu4P2O8
16
6
176.5
mp-1223087
12.031626
10.845958
1.062913
other
Lu8Sc4V12O36
60
6
665.68
mp-1105323
10.021867
11.144823
3.188859
other
Li2Nd2Ti4O12
20
6
231.69
mp-769541
7.038376
13.805329
-1.719323
other
Li8Ti6Co12O36
62
6
625.31
mp-1216106
8.461313
1.972327
2.448046
other
Y6S2O2F10
20
6
287.08
mp-1101275
9.973236
7.843974
-6.376961
other
Ti1Cu3P4O16
24
6
302.27
mp-771061
14.204201
6.197701
-2.966249
other
Mn4Fe4B4O16
28
6
292.4
mp-1233689
13.241005
0.746746
1.671076
other
Mg1Fe10O9F11
31
6
368.86
mp-1100605
4.088405
22.703934
-1.301484
other
Li9Mn2Co5O16
32
6
288.18
mp-774635
13.965384
8.94811
-6.744275
other
V3Co1P4O16
24
6
288.96
mp-2217358
8.83157
9.765863
0.168178
other
Na4Mg1Cu2O4
11
6
157.3
mp-1222895
7.701084
11.263348
1.563403
other
La1Sm3Fe4O12
20
6
244.07
mp-2228381
8.812456
15.081958
-1.202746
other
Mg1Mn6O10F2
19
6
211.67
mp-2230637
7.676033
6.617506
-3.063899
other
Mg1Cu2I4O12
19
6
282.88
mp-1223294
7.600832
11.389712
1.305223
other
La3Al1Fe4O12
20
6
242.32
mp-1100593
3.832742
23.170721
-1.344838
other
Li9Mn2Co5O16
32
6
289.8
mp-2220207
13.465181
0.546051
1.353716
other
Mg1Fe12O12F12
37
6
443.63
mp-2230295
13.267773
0.842269
1.741413
other
Mg1Fe6O6F6
19
6
222.87
mp-2230844
10.546759
12.18137
-0.376762
other
Mg1Zn4Fe4O10
19
6
266.33