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-754954
-4.623924
-2.511004
-4.173944
other
Ag8Se4
12
19
269.64
mp-1219421
10.102825
6.848192
-2.826673
other
Si12O32
44
19
654.32
mp-16911
-3.056144
-0.826369
-5.117412
other
Rb8S20
28
19
839.37
mp-1190685
7.740492
5.12873
-4.896614
other
C8O16
24
19
193.7
mp-616407
5.887708
5.122694
-4.356449
other
N8O12
20
19
302.12
mp-29172
8.207934
2.13489
-1.129634
other
Se4F16
20
19
307.5
mp-558958
10.48697
3.50712
-4.124348
other
H24O12
36
19
251.04
mp-643432
8.995993
1.331462
-3.906958
other
H12N4
16
19
114.21
mp-7441
-3.502586
-4.418439
0.704571
other
K8P8
16
19
447.68
mp-1788
11.028325
7.833935
-4.233322
other
As8O20
28
19
343.77
mp-568936
-4.593404
-2.483466
-4.223755
other
Ag8Se4
12
19
241.28
mp-620372
-4.626926
-2.462245
-3.517664
other
Rb8Se20
28
19
926.14
mp-27399
-0.56612
1.153513
-4.079495
other
Sb4Br12
16
19
588.01
mp-30520
-3.171822
-1.139717
-5.205158
other
Tl8S20
28
19
761.11
mp-765621
9.672429
2.308837
-0.224041
other
V4F20
24
19
342.51
mp-541055
-4.599645
-2.52835
-3.511298
other
Cs8Se20
28
19
1,037.15
mp-17146
-2.894922
-0.747136
-5.133179
other
K8S20
28
19
750.61
mp-776896
11.074494
11.866654
2.756861
other
Nb8O20
28
19
509.8
mp-1180220
5.862294
4.90767
-4.300482
other
N4O4
8
19
123.88
mp-1180334
6.33518
5.427595
-4.107736
other
N4O4
8
19
74.99
mp-1179144
7.589418
7.264693
-4.059415
other
Se4O16
20
19
351.52
mp-713
-4.575977
-5.346627
0.349092
other
K8As8
16
19
503.8
mp-776160
7.741939
10.298721
-3.830792
other
Cr8O20
28
19
419.01
mp-1203812
8.548525
2.602748
-1.543268
other
S8F32
40
19
573.91
mp-1210764
5.049
4.018206
-3.740806
other
N16F8
24
19
424.49
mp-1396391
10.651334
11.174084
-3.067677
other
W4O12
16
19
212.62
mp-1202960
10.692925
9.2681
-0.668985
other
Sb16O24
40
19
714.55
mp-1188662
-4.673622
-5.25982
0.271914
other
Na8As8
16
19
383.48
mp-1181185
7.477991
6.589681
-3.364129
other
I4O12
16
19
215.86
mp-561664
8.354037
2.032722
-0.948843
other
Te4F16
20
19
304.12
mp-28128
1.902347
2.785332
-4.301578
other
S8Cl16
24
19
848.24
mp-1182269
7.869503
5.632885
-4.140238
other
Be4O8
12
19
112.88
mp-734430
7.427672
6.64183
-3.890243
other
Se4O12
16
19
323.21
mp-28336
-3.540712
-4.008325
0.637678
other
Li12P28
40
19
782.94
mp-1183005
-4.686159
-2.421414
-3.957208
other
Ag8Se4
12
19
363.44
mp-556961
15.306117
5.80378
0.293789
other
Si8O16
24
19
338.09
mp-1188944
5.359084
3.480968
-3.803863
other
N16Cl4
20
19
296.9
mp-7440
-3.499718
-4.482933
0.672584
other
Na8P8
16
19
336.79
mp-1102941
3.482765
2.906607
0.448852
other
P4N8
12
19
172.53
mp-31272
7.672516
5.814919
-4.165374
other
P16O72
88
19
1,203.64
mp-10802
-4.551186
-5.442621
0.327799
other
Rb8As8
16
19
561.13
mp-18609
-4.541638
-2.416845
-3.542695
other
K8Se20
28
19
852.66
mp-29174
1.82463
2.20475
-4.844028
original
Si4Cl8
12
19
399.43
mp-1016092
9.278717
10.162894
-3.36091
other
Re16O56
72
19
1,102.34
mp-23256
4.897757
2.592641
-3.656106
other
B32Cl32
64
19
1,636.71
mp-1073455
-2.492728
-5.397379
7.108885
other
Mg8Si16
24
19
419.71
mp-1102744
7.609737
5.65463
-3.509071
other
Zn4O8
12
19
125.5
mp-672372
-3.096596
-0.804465
-5.075918
other
K8S20
28
19
864.91
mp-1105925
-7.510589
-6.07213
6.123286
other
La14Pd6
20
186
615.42
mp-569994
-1.207425
2.840487
-3.006941
other
Cd4I8
12
186
463.53
mp-973674
1.882589
2.428768
0.092646
other
Hg2N2
4
186
70.28
mp-1196316
-5.594867
-0.093576
3.17089
other
Cr56C24
80
186
753.14
mp-1182329
-7.537346
-5.372229
5.195162
other
Ce14Pt6
20
186
532.44
mp-984718
-3.642859
1.533764
2.584917
other
B2As2
4
186
55.86
mp-1186446
-4.142497
-5.282874
2.826387
other
Pb2C2
4
186
76.18
mp-7140
-1.159305
0.514966
2.370623
other
Si2C2
4
186
41.27
mp-1070
-5.062851
-2.867275
-4.018404
other
Cd2Se2
4
186
115.97
mp-672
-4.22807
-1.49282
-5.638683
original
Cd2S2
4
186
102.04
mp-776911
16.73185
9.651609
7.391542
other
Mg4O4
8
186
95.04
mp-1188617
-8.267968
-6.511291
6.59354
other
Sm14Pt6
20
186
565.81
mp-2653
3.21629
2.658784
0.295536
other
B2N2
4
186
23.88
mp-1183956
-4.939874
-6.699719
3.578323
other
Cs2La2
4
186
197.42
mp-1106180
-5.260281
-0.13638
3.410239
other
Re14B6
20
186
239.77
mp-18257
-6.99409
0.63739
3.427755
other
Fe14C6
20
186
181.36
mp-1183990
12.505666
9.616578
0.788619
other
Ga2O2
4
186
56.78
mp-971820
3.522032
-0.764215
-2.347334
other
Zn2H2
4
186
41.36
mp-1064405
-5.978405
-5.774059
0.558677
other
Zn2Bi2
4
186
121.92
mp-568263
-4.806631
-2.680984
-4.025739
other
Ga8Se8
16
186
407.23
mp-1004526
-5.203798
-0.041161
1.261129
other
W2S2
4
186
64.85
mp-756587
10.805201
12.594916
1.901739
other
Ti8O16
24
186
277.76
mp-999539
10.595319
12.478478
0.154011
other
Mn2O2
4
186
54.16
mp-1184767
3.106549
-0.623335
-2.671426
other
In2H2
4
186
68.75
mp-1106092
-5.463009
-7.543588
3.329314
other
Sr14Ag6
20
186
815.19
mp-999540
-5.268773
-2.448332
-3.648813
other
Mn2Se2
4
186
103.85
mp-1012435
-3.221198
-2.195012
-5.55489
other
Pb2S2
4
186
110.9
mp-31164
-7.342011
-5.275849
5.45408
original
Ce14Ru6
20
186
495.55
mp-1183475
0.019853
1.143793
-2.616327
other
Ca2Br2
4
186
139.72
mp-1184015
-1.384606
0.277065
1.554392
other
Ga2C2
4
186
51.72
mp-1189501
-7.871957
-6.096719
6.132048
other
La14Pt6
20
186
613.47
mp-1007652
-4.800045
-4.925145
0.094712
other
In2As2
4
186
114.12
mp-1186339
0.907157
2.053731
-4.645273
other
Ni2Cl2
4
186
70.78
mp-1105786
-8.548362
-6.426063
6.788152
original
Dy14Rh6
20
186
507.79
mp-1187440
0.008377
0.604397
-2.41045
other
Th2Cl2
4
186
111.85
mp-1183441
-5.857607
-3.361033
-1.991618
other
Be2Te2
4
186
91.12
mp-30565
-6.190648
-5.799597
5.711731
other
Th14Co6
20
186
505.98
mp-1185871
3.496686
-0.609428
-2.346281
other
Mg2H2
4
186
50.85
mp-755508
5.927166
13.365438
-2.616055
other
Co8O16
24
186
233.08
mp-1185319
1.288874
2.365624
-5.401895
other
Li2Cl2
4
186
84.81
mp-1183400
3.268525
-0.251841
-1.93153
other
Be2H2
4
186
24.52
mp-8882
-3.423469
-3.901075
0.573107
other
Ga2P2
4
186
80.94
mp-560588
-4.845222
-1.746936
-6.714694
other
Zn2S2
4
186
78.25
mp-1184756
-1.30935
2.276244
-3.159602
other
Ir2I2
4
186
105.5
mp-1323723
11.156417
10.753453
-3.194425
other
Mo6O16
22
186
323.1
mp-1106065
-8.90968
-1.28392
3.765002
other
B6Rh14
20
186
232.6
mp-1187501
-6.230384
-7.385691
2.14913
other
Tl2H2
4
186
86.13
mp-1184680
2.776736
-0.636676
-1.809899
other
H2Ir2
4
186
37.3
mp-1096804
-7.518437
-6.309385
2.614655
other
Ag2H2
4
186
46.61
mp-561118
-4.841592
-1.742693
-6.703859
other
Zn8S8
16
186
312.65
mp-1008559
-3.086913
1.527665
2.565125
other
B2P2
4
186
46.57
mp-1017982
1.564143
2.531246
0.596861
other
Tl2N2
4
186
73.31