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-1041454
12.540836
10.08757
0.17229
other
Ba1W4O8
13
162
233.88
mp-8922
9.827969
10.060006
-0.844414
other
Cd1Sb2O6
9
162
115.69
mp-754212
-1.255851
1.95578
-1.645294
other
Ba1Sr2I6
9
162
454.55
mp-757900
11.214467
11.274752
-2.49529
other
Rb5W18O54
77
162
1,120.21
mp-1047280
10.116415
9.190778
0.012484
other
Ba1Sn4O8
13
162
245.77
mp-20727
9.789238
9.98044
-0.622569
other
Sb2Pb1O6
9
162
131.85
mp-754196
-1.297782
1.934386
-1.579673
other
Ba2Sr1I6
9
162
475.89
mp-754065
9.884477
10.037098
-1.188305
other
Hg1Sb2O6
9
162
119.69
mp-1191510
-5.758222
-5.278321
0.968861
other
Mg6Sb12O6
24
162
537.16
mp-1224607
-6.055558
-3.802878
3.609277
other
Hf10Cu1Sn7
18
162
375.44
mp-1236878
-5.646216
-5.152279
0.952682
other
Mg6Sb12O6
24
162
512.98
mp-757074
-1.21863
1.9302
-1.757587
other
Ba1Ca2I6
9
162
427.51
mp-1216165
-5.083299
-4.665206
6.098032
other
Y10Si6B1
17
162
404.97
mp-1103876
4.263659
2.459773
-3.334907
other
Co1C6N6
13
162
242.31
mp-9126
9.803233
9.818334
-0.625778
other
Sr1Sb2O6
9
162
130.63
mp-1047430
10.391822
9.259258
-0.272565
other
Ba1Sb4O8
13
162
243.45
mp-755087
10.164827
0.449916
0.688152
other
Li3Fe1F6
10
162
105.67
mp-1205739
9.347503
1.122855
0.584152
other
Li2Sn1F6
9
162
94.73
mp-1120752
8.768265
12.858441
-0.883973
other
K2Fe4O7
13
162
170.47
mp-1120820
8.771396
13.225159
-1.129177
other
Li2Fe4O7
13
162
157.07
mp-1180246
6.811594
7.847454
-3.274589
other
Na2Pd1O6
9
162
115.15
mp-27563
9.945963
8.800744
0.365135
other
Rb2In4O7
13
162
204.37
mp-31220
-5.868384
-3.335303
-2.028681
other
Al2Si2Te6
10
162
304.88
mp-1222748
-0.367102
0.801365
-3.882621
other
Li2U1Br6
9
162
267.85
mp-1226597
-6.723974
-2.545917
6.467904
other
Er12Al82Cr12
106
162
1,774.8
mp-3810
11.029821
8.1763
-3.999257
other
Hg1As2O6
9
162
103.82
mp-1217788
-5.310619
-2.361039
3.695499
other
Ta10Al6B1
17
162
281.84
mp-1047829
6.725469
10.853203
-1.261925
other
Ba1Ni4O8
13
162
201.6
mp-1047421
11.972519
10.895236
2.102806
other
Ba1Ti4O8
13
162
230.67
mp-4002
8.943743
1.311523
1.074472
other
Li2Zr1F6
9
162
97.58
mp-567931
-5.930979
-3.439161
-2.026607
other
In2Si2Te6
10
162
328.81
mp-1216288
10.162528
11.117665
-3.20997
other
W12N3O36
51
162
756.2
mp-753345
-1.275823
1.917377
-1.625221
other
Ba2Ca1I6
9
162
451.23
mp-1041271
12.587938
11.529648
-1.162815
other
Ba1V4O8
13
162
224.82
mp-673812
11.028195
11.236455
-2.757091
other
Tl1W6O18
25
162
373.1
mp-1181661
7.567692
6.474064
-3.082825
other
Co1I2O6
9
162
119.16
mp-531472
-0.367157
0.810201
-3.905545
other
Li12U6Br36
54
163
1,733.86
mp-687090
11.611704
11.051454
-3.88279
other
Hf6Mo12O48
66
163
1,019.45
mp-780226
9.557263
9.926408
1.585948
other
Li12La4O12
28
163
356.41
mp-505148
-1.166591
2.055629
-2.464201
other
Th2Pb2I12
16
163
771.42
mp-559145
13.838965
5.476735
-6.475403
other
Al24P24O96
144
163
3,362.81
mp-1223047
-0.389315
0.818275
-3.905204
other
Li4U2Br12
18
163
570.9
mp-28815
-1.225632
2.142457
-2.557952
other
Th2Sn2I12
16
163
753.77
mp-1208148
-1.266369
2.098236
-2.424627
other
Th2Ge2I12
16
163
696.19
mp-1176528
9.594528
1.937133
-0.060206
other
Li2V2F12
16
163
222.09
mp-1120720
-0.456364
1.167377
-4.342925
other
Li6In2Br12
20
163
530.09
mp-704604
11.503497
11.098542
-3.936212
other
Zr6Mo12O48
66
163
1,122.29
mp-29417
-0.228063
0.942613
-4.216171
other
Na6Sc2Br12
20
163
596.21
mp-1213956
-1.309106
2.042598
-2.278036
other
Ca2U2I12
16
163
719.72
mp-1106352
1.460089
2.502175
-5.231415
other
Na6Mo2Cl12
20
163
493.03
mp-777475
10.064492
0.461903
0.756259
other
Li6Fe2F12
20
163
217.49
mp-867955
13.00744
10.248034
2.05979
other
Na8Nb12O24
44
163
533.82
mp-1177660
9.581307
10.134284
1.458604
other
Li36Gd12O36
84
163
972.01
mp-1365085
6.906794
5.934059
-3.606735
other
Ca2Pt2O12
16
163
272.7
mp-1210606
-4.951335
-2.73977
-3.923963
other
Mn6Si4Se12
22
163
505.2
mp-1345659
8.045972
4.491484
-6.452453
other
Fe4C4O14
22
163
341.07
mp-28360
1.513822
2.302039
-5.492639
other
Na6Cr2Cl12
20
163
477.13
mp-777900
9.972235
0.506274
0.774458
other
Li6Fe2F12
20
163
219.67
mp-28220
1.571456
2.305995
-4.788758
other
Hf2Fe2Cl12
16
163
415.21
mp-13994
-4.231328
-0.13011
-4.3913
other
Ti6Ni2S12
20
163
342.82
mp-756130
10.384336
1.03658
1.689704
other
Li4Mn4F12
20
163
250.23
mp-675438
-0.367873
0.807083
-3.897824
other
Li8U4Br24
36
163
1,129.51
mp-560296
-6.002326
1.480193
-4.724583
other
K2Mo24S28
54
163
1,229.15
mp-5673
-4.723323
-1.837543
1.142068
other
Ni2Mo2P16
20
163
296.92
mp-1199497
-1.77276
2.312443
-3.049951
other
Cs4Mo12I28
44
163
1,801.02
mp-1207914
-1.334973
2.233955
-2.565581
other
U2Sn2I12
16
163
702.24
mp-1214004
-1.246436
2.020344
-2.076516
other
Ca2Th2I12
16
163
743.92
mp-1208402
-1.220507
2.116428
-2.598211
other
U2Pb2I12
16
163
715.56
mp-570813
-1.300916
2.04325
-2.3485
other
Li4U2I12
18
163
689.69
mp-777681
9.973923
1.959499
1.737221
other
Li6V2F12
20
163
223.26
mp-1213661
7.222126
7.529259
-3.941361
other
Fe8S12O84
104
163
1,732.3
mp-23503
1.371774
2.212408
-5.577844
other
Na6In2Cl12
20
163
509.93
mp-28208
1.571018
2.322917
-4.865804
other
Zr2Fe2Cl12
16
163
467.9
mp-675570
-5.981719
-3.026462
-2.097719
other
Mn6Si4Te12
22
163
623
mp-557787
10.008328
9.916197
-0.579403
other
Tl4Sb4O12
20
163
362.41
mp-16335
-4.16848
-0.146616
-4.497793
other
Ti6Fe2S12
20
163
353.75
mp-770755
10.413865
12.976973
0.186322
other
Li12Cr4O12
28
163
252.94
mp-1207919
-1.324013
2.133655
-2.490291
other
U2Ge2I12
16
163
672.39
mp-1209791
-4.8134
-1.785365
1.162955
other
Ni2P16W2
20
163
293.63
mp-607824
10.314328
10.713545
-3.914842
other
Hf6Mo12O48
66
163
891.9
mp-1213292
-1.606875
2.760376
-5.039156
other
Cs4W12Br28
44
163
1,506.75
mp-27417
9.973784
11.101048
0.288555
other
Li12In4O12
28
163
280.05
mp-1078304
-7.921039
-5.579727
3.692519
other
Ca4Al2Pd4
10
15
217.23
mp-1246921
1.805015
1.804045
1.276472
other
Sr6In4N8
18
15
329.83
mp-7086
-4.976828
-2.499719
-3.58571
other
Rb2Fe2Se4
8
15
233.22
mp-2234126
7.126143
13.327774
-1.954604
other
Co4Cu2O8
14
15
144.22
mp-641314
-8.053626
-3.597001
2.712477
other
Dy4Ge6Pt18
28
15
469
mp-759800
8.134331
14.572772
-1.083685
other
Na8Mn10O24
42
15
489.75
mp-765559
8.799161
0.908422
-0.394234
other
Li2Ag2F8
12
15
140.99
mp-996961
7.658482
10.439166
-1.164017
other
Li2Au2O4
8
15
110.05
mp-17552
12.643519
6.314539
-0.391816
other
Ca6Si6O18
30
15
410.09
mp-755352
10.016488
11.332528
2.386946
other
Li4Hf2O6
12
15
117.5
mp-1208207
11.327006
13.179636
-0.220128
other
Ti2Cr4O10
16
15
170.88
mp-17965
-6.063488
-3.520512
-2.10319
other
K8Ga8Te16
32
15
1,156.65
mp-1190689
-7.960418
-1.71817
2.849634
other
Gd2Si6Ni16
24
15
289.1
mp-1208429
12.099448
10.729484
2.027169
other
Ta10Zn14O36
60
15
739.5
mp-570397
-8.039014
-3.596414
2.708899
other
Ho4Ge6Pt18
28
15
478.95
mp-30974
1.581135
2.92842
-4.933233
other
Cs2W2Cl12
16
15
475.32
mp-5450
8.618937
1.374668
1.424675
other
K4Zr2F12
18
15
258.63
mp-721633
7.935349
2.448529
-1.120656
other
Sb2N4F10
16
15
331.55