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-1203655
15.532544
5.675138
0.334838
other
Si48O96
144
127
2,879.74
mp-1078996
-5.515316
-2.594056
3.892893
other
Nb6Si4
10
127
160.24
mp-1080146
-5.500187
-4.389012
3.708681
other
Pu6Si4
10
127
212.85
mp-1078957
-5.61028
-2.138113
3.827022
other
Ta6Be4
10
127
141.12
mp-568225
-3.625082
1.722317
2.968354
other
Tb4B16
20
127
203.56
mp-607225
-7.63442
-2.099757
4.939578
other
Mn4Ga10
14
127
211.48
mp-20433
-5.888668
-3.230127
4.115495
other
Ti6In8
14
127
298.51
mp-20467
-3.852628
1.781179
2.949174
other
Pu4B16
20
127
205.71
mp-30721
-7.339158
-7.081069
1.899298
other
Hg10Pd4
14
127
286.57
mp-571608
-7.569658
-6.662195
3.607654
other
Yb6Ag4
10
127
280.2
mp-1079895
-5.397633
-4.967669
4.852073
other
Np6Si4
10
127
190.53
mp-1213975
-3.577571
1.769028
2.970142
original
Ca4B16
20
127
209.43
mp-20617
-6.153958
-6.196975
5.932097
other
Th6Si4
10
127
299.8
mp-13427
-5.956817
-7.439393
3.134148
other
Sr6Hg4
10
127
365.01
mp-568774
-6.006073
-6.886171
3.281883
other
Ca72Sn46
118
127
3,665.46
mp-1079937
-5.114655
-4.52284
6.231638
other
Pr6Si4
10
127
271.84
mp-1079053
-5.599532
0.223149
3.296816
other
B4Mo6
10
127
113.89
mp-1079377
-6.055625
-0.803506
3.652864
other
Si4W6
10
127
146.34
mp-8546
-3.702312
1.693118
2.98714
other
Sm4B16
20
127
210.54
mp-2105
-5.260294
-3.419145
4.543957
other
Hf6Si4
10
127
178.98
mp-11272
-5.514942
-2.247777
3.704198
other
Be4Nb6
10
127
143.93
mp-19984
-3.221904
1.569035
2.835321
other
Tb4B16
20
127
305.09
mp-1222413
-3.269439
1.577071
2.905731
other
Li4B12
16
127
146.9
mp-1078666
-8.061646
-2.927637
2.639323
other
Ga2Pt6
8
127
122.86
mp-1019082
0.748549
2.123604
1.945894
other
Ru2N4
6
127
52.43
mp-1205418
-3.827427
1.526367
3.064227
other
B16W4
20
127
190.07
mp-669913
-6.207078
-7.209034
2.962687
other
Sr4Pb6
10
127
348.67
mp-11393
-5.647131
-2.509238
3.652369
other
Nb6Ga4
10
127
168.63
mp-314
-6.486128
-5.31962
5.661745
other
Th6Ge4
10
127
266.1
mp-1974
-3.760399
1.838714
2.950936
other
Ce4B16
20
127
209.84
mp-7924
-6.682499
-6.39372
2.311755
other
Li4Sn10
14
127
329.16
mp-21346
-5.39992
-3.402893
4.619499
other
U6Si4
10
127
204.63
mp-571495
-3.631048
1.688546
2.979476
other
Lu4B16
20
127
194.54
mp-1105563
-3.66977
1.734803
2.962384
other
Gd4B16
20
127
206.1
mp-1182870
-8.02865
-2.924186
2.656655
other
Al4Pt12
16
127
249.31
mp-2719
-3.705994
1.686222
2.989041
other
Dy4B16
20
127
201.86
mp-30670
-6.452416
-5.774145
5.668845
other
Th6Ga4
10
127
273
mp-13415
-5.018847
-0.606526
3.325314
other
Ta6B4
10
127
125.99
mp-619
-3.851422
1.678981
2.964383
other
U4B16
20
127
193.71
mp-997569
-3.585822
-4.408251
0.967414
other
Al4P4
8
127
728.54
mp-542573
-3.818914
1.844999
2.965838
other
Th4B16
20
127
217.3
mp-637
-3.657211
1.681506
2.973074
other
Y4B16
20
127
202.83
mp-1239172
10.884516
10.76651
-3.62222
other
Mo40O112
152
127
2,168.07
mp-555026
9.121452
0.935616
1.08446
other
Al10F30
40
127
472.53
mp-1271121
9.352056
0.96811
-0.815364
other
Co2F6
8
127
110.77
mp-637377
-7.335049
-5.764596
3.976061
other
Ti4In10
14
127
375.01
mp-2378
-6.306405
-5.722824
5.832113
other
Th6Al4
10
127
276.7
mp-1207024
-5.257364
-3.419645
4.350398
other
Zr6Si4
10
127
187.36
mp-7283
-3.68763
1.828296
2.981295
other
La4B16
20
127
224.36
mp-759525
10.57288
0.10073
0.262586
other
Mn10F30
40
127
609.12
mp-2847
-3.67643
1.715374
2.980205
original
Er4B16
20
127
198.59
mp-1985644
-7.906047
-6.596685
6.379709
other
Gd6Ga4
10
127
260.36
mp-1087230
-6.033229
-1.007586
3.648036
other
Si4Mo6
10
127
145.06
mp-22050
-7.492468
-5.450243
4.770898
other
Hf4In10
14
127
324.89
mp-16756
-5.596144
-2.245859
3.692127
other
Ta6Ga4
10
127
164.49
mp-569281
-3.68785
1.701384
2.974372
other
Ho4B16
20
127
200.28
mp-10162
-5.084267
-4.57469
6.036363
other
La6Si4
10
127
282.25
mp-1188425
-3.779721
1.814988
2.970506
other
Np4B16
20
127
203.39
mp-1079146
-5.508931
-4.862833
5.879211
other
Th6Si4
10
127
257.22
mp-20689
-4.847149
-0.375188
3.114666
other
Nb6B4
10
127
128.64
mp-600015
15.669442
5.642118
0.403414
other
Si24O48
72
129
1,418.6
mp-999142
11.584573
9.213166
0.707152
other
Sn2O2
4
129
65.3
mp-1232216
-4.347509
-3.994338
-3.646696
other
Pm2Se4
6
129
145.65
mp-1147625
-3.776867
-1.31933
-5.641154
other
In2S4
6
129
121.7
mp-1019266
-5.855646
-3.733061
-1.420374
other
Sm2Te4
6
129
181.82
mp-600072
15.643969
5.623898
0.361552
other
Si48O96
144
129
3,242.79
mp-1018706
-2.86096
-2.476378
-5.693066
other
Gd2S4
6
129
121.6
mp-1072729
-5.72627
-3.673872
-1.543105
other
Tm2Te4
6
129
172.06
mp-1018732
-5.822265
-3.665992
-1.53037
other
Ho2Te4
6
129
173.32
mp-1018728
-4.13974
-4.135595
-3.71018
other
Ho2Se4
6
129
135.28
mp-1018075
-5.399314
-1.686647
-3.036307
other
Fe2Se2
4
129
56.84
mp-1228815
-5.502537
-1.233868
4.02098
other
Al2Re2
4
129
56.54
mp-7192
-6.067398
-4.908931
2.040821
other
Sc4Sb2
6
129
140.12
mp-604908
-5.574149
-1.780897
-2.96476
other
Co2Se2
4
129
71.81
mp-1018829
-5.696559
-3.898488
-0.529771
other
Np2Te4
6
129
182.43
mp-1018817
-4.1458
-4.16193
-3.779451
other
Nd2Se4
6
129
148.46
mp-622570
-8.27832
-3.962763
3.861004
other
Ti4Cu6
10
129
135.54
mp-998972
-8.285917
-5.474679
3.011055
other
Ti2Au2
4
129
67.36
mp-1077369
-0.567184
0.485046
0.098505
other
Rb2C4
6
129
166.79
mp-604910
-5.438731
-2.429089
-3.08082
other
Mn2Se2
4
129
81.55
mp-567809
-1.206542
2.847785
-3.105083
other
Ag2I2
4
129
132.86
mp-1182030
3.285867
3.324668
-3.802501
other
Br2N2
4
129
69.01
mp-1018679
-5.825813
-3.64474
-1.571313
other
Dy2Te4
6
129
174.86
mp-604914
-5.515871
-1.325391
-3.078022
other
V2Se2
4
129
86.56
mp-7474
-5.560429
-4.075469
0.552247
other
Cu4As2
6
129
83.72
mp-8732
-5.130641
-2.226422
3.128626
other
Ta4Se2
6
129
117.13
mp-569858
-6.116117
-4.534904
1.113566
other
U2Bi4
6
129
185.62
mp-1018692
-5.790872
-3.6804
-1.517757
other
Er2Te4
6
129
173.24
mp-2350391
-3.293487
-2.108235
-5.547518
other
Pb2S2
4
129
204.09
mp-20664
-6.65759
-2.814144
0.921503
other
Mn4Sb2
6
129
110.72
mp-1018700
6.917959
9.151714
-0.957346
other
Eu2O4
6
129
77.77
mp-610522
-6.290592
-1.736058
1.530812
other
Mn4As2
6
129
82.79
mp-1232237
-3.808589
-3.955441
-3.742866
other
Sc2Se4
6
129
123.83
mp-640045
-5.736306
-3.558925
2.076517
other
Ti16Bi18
34
129
786.57
mp-1018751
-2.665722
-2.504013
-5.556899
other
La2S4
6
129
136.18
mp-1007758
-5.916585
-4.028018
4.052718
other
Hf2Cd2
4
129
85.08
mp-1018665
-4.109758
-3.936764
-3.284173
other
Ce2Se4
6
129
150.31
mp-999133
-5.828822
-2.348661
3.558958
other
Ta2Pd2
4
129
65.74
mp-567586
-9.061584
-6.400927
2.791018
other
Nd34Au72
106
129
2,461.19
mp-1074652
-3.758992
-8.376854
7.118145
other
Mg4Si2
6
129
120.83