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-30312
-6.626276
-3.681618
5.073359
other
Ca4Si2Ir4
10
15
202.64
mp-1211377
1.987545
2.75595
-5.016422
other
K2Sb2Cl12
16
15
448.97
mp-997018
6.447924
5.817001
-3.934061
other
Au2Cl2O4
8
15
181.79
mp-756188
7.562038
11.427383
-0.895297
other
Li2Cu6O8
16
15
157.11
mp-541059
-3.080671
0.57271
-3.400421
other
Rb8Re12Se24
44
15
1,142.05
mp-617543
-0.32731
0.84363
-3.921168
other
Th2In4Br12
18
15
593.91
mp-1104671
7.853035
6.707142
-5.274781
other
Ni2S2O10
14
15
174.29
mp-29558
9.432139
8.336363
-0.716587
other
Bi6Cl2O8
16
15
315.23
mp-12237
13.226972
6.397951
-6.753397
other
Ho4P20O56
80
15
1,012.1
mp-1040932
10.31918
8.249115
-7.302363
other
Mn8P8O32
48
15
637.88
mp-1246206
1.639937
1.930192
0.942962
other
Ba6Bi4N8
18
15
475.32
mp-1246072
0.647922
2.331796
1.950229
other
Y4Mn6N8
18
15
224.77
mp-542637
-4.321771
-2.421212
-3.624539
other
K4B4Se14
22
15
591.81
mp-2677258
9.193044
5.277556
-5.942841
other
Pd2S2O8
12
15
182.04
mp-1208412
7.278909
7.392921
-3.922172
other
Tm4Se6O40
50
15
825.53
mp-726277
6.730519
6.278582
-3.585786
other
Pb2Br4O14
20
15
328.62
mp-1213962
9.048355
1.040704
1.265983
other
Ca2Al4F16
22
15
282.43
mp-754707
10.263906
1.703986
2.118783
other
Li4Fe4F12
20
15
263.57
mp-1197253
8.028912
6.756993
-4.940414
other
Hg6S4O22
32
15
486.39
mp-28175
1.92667
2.870397
-4.439042
other
Pd2Se4Cl12
18
15
509.83
mp-1203128
10.74558
7.435697
-2.463951
other
Fe4Si8O24
36
15
471.07
mp-556639
10.51992
10.709414
3.258829
other
Dy2Nb2O8
12
15
148.67
mp-12862
10.582434
10.473598
3.231688
other
Lu2Ta2O8
12
15
139.82
mp-1190364
-3.775764
-1.432855
-5.758415
other
Li8Sn4S12
24
15
434.65
mp-5418
10.124559
11.552608
1.851649
other
Li12Zr4O14
30
15
311.34
mp-556229
10.420409
0.124985
0.326689
other
Li4Mn2F10
16
15
165.24
mp-1105580
-5.506745
-2.763789
5.851442
other
U4Si10Os6
20
15
331.05
mp-772497
13.808292
4.488254
-1.805388
other
Er8B12O30
50
15
477.47
mp-4156
10.252494
11.4111
2.572774
other
Li4Zr2O6
12
15
120.76
mp-1385907
10.360366
1.027307
1.476537
other
Mn2Zn2F8
12
15
143
mp-1120764
9.243714
2.959238
1.75333
other
Na2Ti6F14
22
15
282.4
mp-29457
9.195745
0.695709
0.262031
other
Ba4Cu10F28
42
15
582.57
mp-1246702
1.300373
1.976066
1.40884
other
Ca10Co4N12
26
15
373.46
mp-3827
-4.522239
-1.175535
-5.037362
other
K2Fe2S4
8
15
193.2
mp-5477
10.03231
9.532128
0.736254
other
Na10Nb2O10
22
15
306.22
mp-1404732
9.46457
2.658041
1.609204
other
Zn2W2F10
14
15
187.09
mp-554113
13.193855
6.465972
-6.794521
other
Lu4P20O56
80
15
1,035.01
mp-763339
12.949546
9.60776
-1.07882
other
Fe14Si4O24
42
15
449.55
mp-779078
5.604556
13.741925
-1.677654
other
Na8Co4O12
24
15
264.58
mp-27807
8.934398
2.140887
-1.103865
other
Mn8O8F36
52
15
643.77
mp-1207679
-8.088933
-3.638047
2.77585
other
Yb4Ge6Pt18
28
15
471.59
mp-1201169
-2.743702
-1.288625
-4.160692
other
P16Se12Br8
36
15
1,103.36
mp-752827
9.26271
8.751022
1.735523
other
Ba4In4O10
18
15
310.15
mp-17385
7.84582
10.073768
-3.809022
other
Rb4Cr4O14
22
15
388.35
mp-562826
9.35551
7.329111
-3.336139
other
Co16Se16O48
80
15
1,148
mp-18479
10.791538
10.657581
0.379379
other
Nd8W4O24
36
15
545.26
mp-1205222
7.38097
7.399169
-4.145106
other
Na8P4O34
46
15
737
mp-36484
12.776688
12.916528
-1.033348
other
V16Ni4O30
50
15
523.39
mp-1246107
1.968138
2.213722
1.421757
other
Y4Pb6N8
18
15
408.97
mp-3564
9.933625
8.434483
3.231093
other
Ba6Sc12O24
42
15
593.58
mp-27752
-3.451724
-1.458726
-5.571173
other
Na12Ge4S14
30
15
686.47
mp-754994
10.357234
1.74413
2.159916
other
Li4Fe4F12
20
15
246.46
mp-1173251
7.521316
10.458298
0.953127
other
Sr8Rh4O16
28
15
400.51
mp-562102
10.065296
4.468742
-6.68666
other
K4S4O14
22
15
322.68
mp-1176726
11.092661
12.594003
-0.21772
other
Li2Fe6O8
16
15
158.6
mp-1272295
13.100003
12.12089
-0.195964
other
Al4V8O16
28
15
298.73
mp-647265
10.454976
9.507309
-1.338289
other
V16Bi56O120
192
15
3,097.46
mp-757975
8.447574
14.995675
-0.846313
other
Li2Mn4O8
14
15
149.8
mp-10417
10.297863
9.294441
-0.404856
other
K2Sb2O4
8
15
149.57
mp-510273
10.100632
9.223269
-0.355721
other
Cs2Sb2O4
8
15
191.63
mp-777676
9.892145
2.689567
1.980015
other
Li4V4F12
20
15
271.51
mp-29847
-0.165075
0.509876
-3.181323
other
Tb16B4Br24
44
15
1,277.23
mp-1214225
5.285686
2.894164
-4.020172
other
C16S24I8
48
15
1,309.56
mp-768884
13.769549
5.054061
-2.477571
other
Li8B4O10
22
15
198.77
mp-36864
9.498936
12.788689
0.843636
other
Li4Ti2O6
12
15
102.79
mp-27197
11.642847
7.144361
-4.073469
other
Na8As4O14
26
15
365.62
mp-11692
-4.58824
-5.23963
0.516216
other
Ba6Si4As8
18
15
558.22
mp-1193816
6.608243
6.362906
-3.660641
other
Hg6Cl4O20
30
15
552.52
mp-732296
7.262353
6.420563
-4.457452
other
K4S4O24
32
15
589.88
mp-698211
12.421221
12.248019
-0.330451
other
Ti6V4O18
28
15
375.6
mp-1209455
1.239117
2.320739
-5.801855
other
Rb12Tb4Cl24
40
15
1,299.31
mp-17400
1.641688
1.833462
1.587184
other
Ba8Ta4N12
24
15
493.75
mp-1204678
-4.389055
-1.292764
-5.218411
other
K14Fe10S20
44
15
1,139.29
mp-31303
-3.037396
-3.505609
-4.642292
other
Pr8Se6N4
18
15
445.65
mp-1245447
1.983461
1.76874
1.601085
other
Ca6Sc4N8
18
15
285.62
mp-28429
7.068094
8.410103
-1.000096
other
Na8Pr4O12
24
15
375.38
mp-1264292
8.73124
8.053879
-3.032113
other
Si4Ni2O12
18
15
201.88
mp-1196708
11.681748
7.610856
-1.705035
other
Ge14N4O30
48
15
792.13
mp-1202912
7.168865
7.651021
-3.699331
other
Ni4S4O40
48
15
708.98
mp-764769
9.788693
1.748222
1.708514
other
Li8V2F14
24
15
298.99
mp-752393
12.898648
5.633884
-6.188118
other
Be4P4O14
22
15
205.41
mp-1203829
8.510685
8.010874
-4.632793
other
Fe8P6O30
44
15
535.9
mp-567858
-0.953831
1.008733
-1.657411
other
Dy24C12I34
70
15
2,261.72
mp-1188864
7.590351
9.324498
-1.185842
other
Ca2Ti4O12
18
15
236.23
mp-685194
10.756164
12.816799
1.571583
other
Li8Ti10O24
42
15
435.53
mp-29431
-0.122172
0.751015
-3.263895
other
Li2Dy4Br10
16
15
432.41
mp-1246003
1.961678
2.490775
1.349574
other
Ti2Pb8N8
18
15
384.89
mp-1246056
1.037282
2.093416
1.478219
other
Ca6Rh4N8
18
15
255.81
mp-1246788
1.410168
2.027269
2.159502
other
Mg4Nb2N6
12
15
148.66
mp-1203442
8.686354
2.408534
-0.974874
other
Co2P8F24
34
15
619.89
mp-755711
6.292994
13.29497
-1.894952
other
Mg4Co4O12
20
15
200.26
mp-866339
13.046216
6.439716
-6.392243
other
Cd4P8O24
36
15
488.32
mp-28798
-5.541052
-2.309866
-1.611249
other
Nb8Te24I2
34
15
1,142.31
mp-29265
11.538423
3.782284
-7.667159
other
Nd4S6O24
34
15
475.22
mp-753663
-0.245725
0.758372
-3.790763
other
Ba2Y2Br10
14
15
607.34
mp-1208493
-5.15647
-2.33872
2.947249
other
Ta40Te10S6
56
15
1,129.25
mp-622491
9.282578
7.461188
-1.707768
other
Pb26Br12O20
58
15
1,441.54
mp-752675
8.545959
1.308539
1.918599
other
Ba2Y2F10
14
15
210.39
mp-1190111
1.634899
2.439655
-5.066868
other
Ga4H4Cl8
16
15
382.44
mp-1213781
7.944977
7.668967
-4.245131
other
Co2Se2O10
14
15
185.21