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-1344053
5.97038
13.460549
-2.61598
other
Co8O16
24
62
236.62
mp-17383
-7.711953
-1.601989
2.486661
other
Ni8Ge4
12
62
138.57
mp-1200672
-7.346569
-6.765358
5.73093
other
Sm20Pb16
36
62
1,121.14
mp-1073529
-2.980892
-5.194627
6.832843
other
Mg4Si8
12
62
207.33
mp-569322
-6.221148
-2.42984
-0.592513
other
Te8Ir4
12
62
293.97
mp-1860
-5.037336
-4.42579
6.034082
other
La4Si4
8
62
206.56
mp-1202267
-8.544771
-5.099735
5.102876
other
Lu20Pt16
36
62
768.05
mp-30669
-6.821953
-5.64983
5.619146
other
Th8Ga8
16
62
412.76
mp-696
-5.849548
-3.816411
4.360874
other
Si4Pt4
8
62
120.74
mp-1189101
-7.59331
-6.258152
6.625928
other
La12Os4
16
62
501.57
mp-728449
-1.768503
0.052268
-4.691033
other
S28N4
32
62
835.84
mp-1102240
8.313286
0.968324
1.663171
other
Sr4F8
12
62
220.77
mp-1102569
10.092834
8.701254
3.255105
other
Th4O8
12
62
167.2
mp-505806
-0.382826
0.320243
-0.248857
other
Cs8C8
16
62
519.49
mp-1189188
-8.043569
-6.428422
6.613613
other
Ho12Ni4
16
62
406.47
mp-1195265
15.549603
5.682096
0.32698
other
Si96O192
288
62
5,515.67
mp-21673
-7.853601
-3.445105
2.728646
other
Ge16Pt24
40
62
644.88
mp-1194318
7.460186
8.649172
-1.503616
other
Yb12O16
28
62
362.63
mp-1005
-6.288079
-0.650473
2.183444
other
Fe4P4
8
62
90.58
mp-22600
-4.650502
-3.946239
0.947454
other
Sc12P8
20
62
379.7
mp-1237278
6.084343
9.290466
-2.27459
other
Zn4O8
12
62
129.67
mp-1203497
-6.709126
-5.809659
3.219911
other
Sr20Pt16
36
62
1,021.7
mp-1180846
-3.814232
-7.236931
1.950056
other
K4Co4
8
62
230.43
mp-1379199
10.305925
12.4242
-4.146528
other
V12O28
40
62
608.22
mp-640791
-5.147431
-4.489286
6.228534
other
Nd20Si16
36
62
943.14
mp-1477
-4.027955
-5.363297
5.280465
other
Ba8Si16
24
62
713.48
mp-17564
-5.031412
-6.021174
0.751356
other
Ca20Sb12
32
62
1,002.07
mp-7092
-5.34177
-2.705386
4.330521
other
Ti4Si4
8
62
118.1
mp-13360
-6.849133
-4.712949
5.685967
other
Y20Ge16
36
62
871.78
mp-776152
9.833498
12.164863
-4.256453
other
V8O20
28
62
380.72
mp-726073
5.954558
5.274378
-4.325059
other
N8O12
20
62
346.02
mp-982385
-3.034917
-2.448211
-3.870379
other
Np12S20
32
62
715.17
mp-601371
-4.966292
-4.43995
6.084538
other
Gd4Si4
8
62
178.14
mp-1047075
12.862508
10.980699
-0.803278
other
Mo8O16
24
62
334.12
mp-21246
-5.3854
-7.108013
3.187399
other
Ba8Pb4
12
62
550.32
mp-351
-6.744283
-1.949093
3.326642
other
Si4Ni4
8
62
95.11
mp-23237
8.35021
1.734026
0.731703
other
Bi4F12
16
62
216.36
mp-1509
-3.749648
-1.372673
-5.745638
other
Sn8S12
20
62
496.66
mp-22575
-5.332318
-4.209044
0.743257
other
Sc12As8
20
62
413.38
mp-1101892
-5.216171
-4.021607
0.543089
other
Ce4As8
12
62
274.81
mp-1101938
-5.251028
1.178045
3.192401
other
Fe4B8
12
62
86.72
mp-1188757
-8.288143
-6.575447
7.028776
other
Y12Os4
16
62
429.7
mp-30757
-7.200177
-6.253202
4.506857
other
La20Sn16
36
62
1,209.85
mp-16826
-5.500985
-5.653212
0.924321
other
Yb20Sb12
32
62
991.62
mp-1189967
-8.067973
-6.749876
7.270055
other
Pr12Os4
16
62
485.89
mp-11871
-8.245628
-5.105507
5.926043
other
Ho4Ni4
8
62
154.55
mp-22126
-3.241333
-2.877604
-3.694084
other
U8S12
20
62
451.12
mp-21182
-4.661096
-3.952248
0.954822
other
Sc12P8
20
62
382.36
mp-1200463
-5.408398
-3.705305
0.271286
other
U12Te20
32
62
968.53
mp-1102728
-7.655625
-6.293959
6.69019
other
Dy8Al4
12
62
313.59
mp-20327
-5.187849
-2.076265
2.185882
other
Ti4P8
12
62
170.77
mp-1195860
-6.991094
-4.392861
5.522459
other
Er20Ge16
36
62
810.92
mp-29646
-5.458066
-2.834069
2.040451
other
Hf4As8
12
62
224.55
mp-1080192
1.284811
1.755593
2.465163
other
Ti12N16
28
62
283.31
mp-1102255
10.847321
12.54425
1.451727
other
Ti4O8
12
62
104.63
mp-1080433
-7.779153
-4.869152
4.416515
other
Yb4Ni4
8
62
158.7
mp-647343
0.059468
1.792446
-4.049939
other
P4Br28
32
62
1,116.69
mp-1188125
-8.283213
-6.78641
7.299649
other
Sm12Ru4
16
62
450.77
mp-21163
-7.404234
-3.427204
3.054109
other
Si4Pt12
16
62
237.97
mp-570527
-8.340921
-6.072311
3.186125
other
Yb20Au16
36
62
922.26
mp-1105945
-7.580865
-6.758592
7.023371
other
Sm12Ni4
16
62
438.5
mp-16502
-7.699515
-6.116323
6.658565
other
Ho8Al4
12
62
308.91
mp-764959
9.685499
2.305493
-0.225321
other
V4F20
24
62
338.27
mp-1079587
-8.073818
-5.36103
3.143785
other
Yb4Pd4
8
62
177.91
mp-1102131
-5.321814
-7.131047
3.486005
other
Sr8Pd4
12
62
404.97
mp-1101848
-7.381494
-6.416578
6.767122
other
Nd8Al4
12
62
349.68
mp-605663
-7.932293
-4.211398
1.742767
other
Al4Pd20
24
62
352.12
mp-1198474
-7.209641
-6.215836
4.964567
other
Dy20Bi12
32
62
939.99
mp-22204
-6.556443
-0.49203
1.847479
other
Co8P4
12
62
127.23
mp-1851
-8.229918
-4.45829
1.976573
other
Sn4Pd8
12
62
202.36
mp-1207777
-7.886783
-6.462808
6.633105
other
Y12Pd4
16
62
452.06
mp-2139
-5.604302
-5.973573
3.630652
other
Ba8Ge16
24
62
741.27
mp-1079915
-8.937146
-6.401556
3.467246
other
Pr4Au4
8
62
213.02
mp-1201836
-5.357558
-2.476066
2.366311
other
Ti20As12
32
62
512.46
mp-1101843
5.95713
8.825257
-1.944859
other
Pb4O8
12
62
168.95
mp-703
-6.344197
-4.24301
3.12987
other
Pu20Rh16
36
62
738.62
mp-1200696
-6.969077
-4.777966
5.013612
other
Ce20Ge16
36
62
927.03
mp-21799
-5.510447
-1.796957
2.96793
other
Ta40P24
64
62
1,007.97
mp-505319
8.509507
2.136505
-0.80874
other
Pt4F24
28
62
370.3
mp-29453
0.647158
1.016909
-3.636763
other
Sm4Cl8
12
62
313.44
mp-1101944
-8.236302
-4.922421
1.879152
other
Tl4Pd8
12
62
214.81
mp-1199486
-4.981743
-4.536084
6.068338
other
Gd20Si16
36
62
864.71
mp-2173
13.53507
7.197334
-6.221198
other
P8O20
28
62
323.92
mp-1197435
-8.195322
-4.726697
3.555685
other
Yb20Pt16
36
62
814.85
mp-11840
-5.527775
-7.171416
3.07814
other
Ba4Ag4
8
62
291.63
mp-1074738
-3.750263
-8.400518
7.07788
other
Mg8Si4
12
62
226.37
mp-1209816
8.654656
1.938608
0.240995
other
Np4F24
28
62
424.6
mp-23179
-6.576107
-4.842757
0.288778
other
Ni4Bi12
16
62
433.72
mp-7475
-2.607714
-2.737093
-5.38244
other
La8S12
20
62
504.19
mp-680294
1.466758
2.4077
-5.522788
other
Tl64Cl96
160
62
5,027.45
mp-1193593
-7.411905
-7.66032
1.920885
other
Ba4Hg24
28
62
785.65
mp-1102657
-8.46545
-6.218956
6.341447
other
Y8Pt4
12
62
302.31
mp-1203932
-7.391429
-6.517541
5.573545
other
Ho20Pb16
36
62
1,054.8
mp-1208328
8.610511
2.294304
-0.476979
other
Tc4F24
28
62
379.71
mp-1354190
8.130663
14.337574
-1.691154
other
Mn8O16
24
62
245.48
mp-737
-6.201379
-3.424944
3.98485
other
Hf20Ge16
36
62
665.84
mp-31465
-7.273555
-6.217401
5.075865
other
Ho20Bi12
32
62
924.8
mp-12900
-5.047766
-4.31428
6.193822
other
Ho4Si4
8
62
169.03
mp-1101816
-8.675256
-6.34166
5.953074
other
Lu8Au4
12
62
288.74
mp-556767
8.257296
2.77768
-1.132964
other
Cl4F12
16
62
228.15