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-1175378
6.91066
19.879839
-0.21405
other
Li7Mn5O12
24
12
220.92
mp-755103
10.344869
1.855313
2.192882
other
Li4Fe4F12
20
12
246.42
mp-1071448
-7.688888
-3.86263
5.304227
original
Ce2Ga2Co2
6
12
108.29
mp-1047067
10.670166
12.565459
-0.506725
other
Zn4Fe4O8
16
12
181.37
mp-684021
-3.606324
-1.481266
-5.321695
other
Sn8Sb12S26
46
12
1,201.42
mp-1246108
0.356161
2.515493
1.986094
other
Mn10Zn1N8
19
12
196.91
mp-1003312
8.322822
14.446991
-1.410377
other
K1Mn4O8
13
12
198.99
mp-1220382
-4.963193
-1.68679
1.91209
other
Nb5Se2S2
9
12
164.45
mp-675260
8.408072
14.798469
-1.087014
other
Li7Mn11O24
42
12
413.41
mp-1330400
7.873985
9.084391
-0.094499
other
Pr2Ta2O9
13
12
190.91
mp-582242
-0.168801
0.564028
-2.888702
other
La8Ni4Br7
19
12
524.4
mp-2913172
9.916577
2.483348
1.519507
other
Li1V1F4
6
12
83.13
mp-1192299
10.546261
9.325195
-0.635389
other
Sb8Br2O12
22
12
406.66
mp-1104812
11.393657
8.366142
2.592347
other
Ho6Sb2O6
14
12
258.97
mp-35482
8.727278
13.135791
-1.396923
other
Ti1Fe4O8
13
12
141.83
mp-1211492
8.525756
1.190392
1.947115
other
K4Y8F28
40
12
556.42
mp-1178181
2.725782
2.361362
1.652771
other
Ge4N4O2
10
12
105.99
mp-1205305
-7.601624
-3.765131
5.551514
other
Tb4Co2Ge4
10
12
197.65
mp-1216629
-8.498224
-6.43118
4.846982
other
Tm2Ga2Ag2
6
12
121.05
mp-540598
10.974861
12.093194
2.267098
other
Ti8Tl4O18
30
12
419.13
mp-763057
6.615604
13.67982
-2.284509
other
Mn1Co2O6
9
12
101.35
mp-675266
8.446992
5.042892
-3.816973
other
Ca3H2O6
11
12
138.86
mp-775006
8.731081
13.902467
-1.614842
other
Mn2Cr1O6
9
12
104.63
mp-546810
7.189546
3.283974
-4.961318
other
Rb2C4O4
10
12
176.26
mp-573523
1.501467
1.838896
1.277983
other
Sr8Fe3N8
19
12
358.47
mp-4852
-5.269636
-1.819503
-2.768587
other
Ni1Rh2Se4
7
12
128.02
mp-13583
-5.455724
-2.969382
5.664518
other
Sc4Si4Ru2
10
12
172.02
mp-1210897
12.474723
13.278722
-1.562187
other
Li1V4O8
13
12
149.01
mp-1219343
-4.557759
-3.730656
-3.928539
other
Sc2Cu2Se4
8
12
166.55
mp-1213715
10.810101
12.022618
2.241152
other
Cs4Ti8O18
30
12
450.4
mp-758139
6.29012
11.046393
0.453609
other
Sr21Co14O43
78
12
1,079.44
mp-1221714
-6.395769
-2.931911
6.230717
other
Mn1Al24Cr1
26
12
409.72
mp-5061
8.3096
13.330902
-1.060647
other
Li5Re1O6
12
12
102.13
mp-1215374
1.917224
1.791001
2.316271
other
Zr4Sc5N10
19
12
232
mp-26778
10.356882
8.175089
-6.767359
other
Cr4P8O28
40
12
499
mp-1232136
-4.466271
-3.979843
-3.919155
other
Pr2Mg2Se6
10
12
302.55
mp-1176494
9.942852
12.449106
-3.810503
original
Mg1V2O6
9
12
100.13
mp-1238931
-2.796546
-2.391714
-5.800086
other
La2Mg2S6
10
12
234.04
mp-1208093
8.44068
10.401075
-3.942043
other
V2Cu3O11
16
12
221.82
mp-1247009
0.010424
2.248783
2.247336
other
V8Fe3N8
19
12
183.47
mp-757394
12.197321
11.560305
2.104277
other
La2Ti12O24
38
12
447.39
mp-850875
12.467239
0.995189
2.513564
other
Fe8O4F12
24
12
293.49
mp-765902
8.21067
12.158069
-0.808143
other
Zn2Ni8O10
20
12
191.63
mp-606102
-7.89847
-5.001219
4.91882
other
Ce3In3Ru2
8
12
196.83
mp-1003769
7.989852
16.922747
-0.492442
other
Li3Mn4O8
15
12
147.61
mp-30546
8.184012
11.352262
-0.77044
other
K1Ir4O8
13
12
167.23
mp-1216663
-9.072104
-6.148262
3.6584
other
Tm2Ga2Au2
6
12
119.3
mp-755442
8.20203
14.479311
-1.424112
other
Mn4Co1O8
13
12
151.62
mp-1219583
-6.32233
-1.426987
4.264827
other
Sc2V10Ge10
22
12
326.8
mp-753268
9.954971
0.467019
0.980522
other
Li6Cu1F8
15
12
147.86
mp-752601
9.814476
13.972335
-0.052701
other
Na2Mn6O8
16
12
170.82
mp-1246546
1.236332
2.020617
1.967824
other
Ta4Se4N4
12
12
233.47
mp-1210952
9.194569
2.384835
1.645417
other
Mn3Nb1F6
10
12
301.13
mp-1216607
-8.349467
-4.824382
3.57087
other
Tm2Ge2Pd2
6
12
116.69
mp-760247
5.571193
11.098243
-1.770612
other
Na8Fe4O12
24
12
253.7
mp-1227605
-1.002472
1.129863
-3.576406
other
Bi12I6Br6
24
12
1,034.21
mp-30165
9.895466
10.778542
0.979058
other
Sr7Re4O19
30
12
394.3
mp-1095468
-2.627191
-2.788955
-5.452469
other
Dy3Sc2S7
12
12
254.05
mp-546920
7.441769
3.206399
-5.272006
other
Li2C4O4
10
12
115.78
mp-1104676
-0.519571
1.42748
-4.050237
other
Os1Se2Br12
15
12
499.68
mp-2356674
9.260079
1.767789
1.413304
other
Li2Nb1F6
9
12
103.43
mp-1246358
5.334487
2.277427
-2.905961
other
Mo2C3N6
11
12
107.69
mp-1025219
-5.748582
-2.14531
-1.353734
other
Ti2V1Te4
7
12
175.11
mp-1190043
-5.421007
-1.783906
-3.78422
other
Tl2Cr6Se10
18
12
406.22
mp-1246013
5.177351
2.164268
-3.09655
other
V2C3N6
11
12
125.8
mp-755547
9.90334
2.475878
1.582363
other
Li2V2F8
12
12
164.77
mp-1219499
-5.830133
-1.623915
4.388272
other
Sc2V10Si10
22
12
303.98
mp-581875
10.425016
9.680738
0.693851
other
Ta6Bi14O36
56
12
838.87
mp-772535
10.976916
11.904302
2.754929
other
Li1Nb13O33
47
12
692.84
mp-850979
15.102442
12.556654
-0.855238
other
V6O8F4
18
12
203.15
mp-559832
-0.868071
1.129839
-4.82532
other
Hg12S8Br8
28
12
800.54
mp-1359741
8.641552
12.408532
-0.920579
other
Al10Fe6O24
40
12
407.09
mp-1224581
-5.361187
-3.03496
-4.291905
other
Gd1Cu5Se4
10
12
186.07
mp-1232160
-2.924797
-2.357871
-5.821212
other
Tb2Mg2S6
10
12
262.69
mp-1048253
12.774261
11.396223
1.761959
other
Ti4Zn4O8
16
12
207.61
mp-1095270
9.002538
8.78818
-0.402889
other
Na5Np1O6
12
12
152.61
mp-1408698
8.9276
13.467106
-1.542582
other
Zn2Cr3O8
13
12
140.43
mp-1218550
11.889545
10.487541
2.614389
other
Sr4Nb5O15
24
12
329.24
mp-1224404
-5.657341
-1.475329
2.342953
other
Ge2Mo2As2
6
12
103.16
mp-1174222
4.128442
19.551458
-1.828722
other
Li8Co6O14
28
12
250.53
mp-755210
9.811974
8.928727
2.911908
other
Y4Cu2O7
13
12
176.93
mp-1225230
-7.642908
-6.868695
3.302373
other
Eu2Cd2Ag2
6
12
155.31
mp-1205777
-5.220178
-3.962842
6.134859
other
Ho4Co2Si4
10
12
184.28
mp-1175492
4.229284
19.37656
-1.851392
other
Li9Co7O16
32
12
281.59
mp-1213438
12.94227
8.420018
-1.010367
other
Fe1B6O6
13
12
150.92
mp-18780
11.448455
10.886132
-2.174349
other
K4W2O8
14
12
256.35
mp-556667
11.973244
11.191031
-2.884825
other
Fe4Mo4O16
24
12
325.48
mp-1211884
8.535022
0.977324
1.108763
other
K3Cr1F6
10
12
274.81
mp-5618
11.682525
7.129444
-4.411783
other
Mg2As2O7
11
12
130.06
mp-1101697
12.047812
11.218686
-1.599893
other
Na9W13O39
61
12
799.42
mp-1078077
-5.200164
0.140953
-4.748504
other
V2Cr1S4
7
12
109.03
mp-1219037
-8.042383
-4.04124
5.746752
other
Sm2Ga2Co2
6
12
113.92
mp-1180401
3.263828
-0.802181
-2.143186
other
Mg4Ni2H8
14
12
129.06
mp-996955
7.979351
7.693756
-2.777138
other
H1Au1O2
4
12
54.77
mp-755670
5.182591
11.583858
-2.343131
other
Fe6O10F2
18
12
193.69
mp-756461
9.189583
14.910013
0.07701
other
Li10Mn8O16
34
12
330.86
mp-1190436
-4.466789
-3.285324
-3.829455
other
Bi4Pb7Se13
24
12
730.25
mp-1225849
-8.162621
-4.678362
4.642732
other
Er6Ga17Pt5
28
12
514.24
mp-753361
10.218187
9.420974
1.620502
other
Ca20Mn4O24
48
12
653.57
mp-25228
8.40524
11.965116
-0.057131
other
K2Mn2O4
8
12
128.8