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-29828
-6.029335
-3.203681
-2.14965
other
K4Cu4Te10
18
63
545.47
mp-569221
4.626541
2.194365
-3.04204
other
Sm2C12N18
32
63
488.67
mp-1207714
-8.049737
-4.293279
4.743944
other
Y4Al18Pd6
28
63
474.11
mp-4472
-5.098131
0.277022
3.082803
other
B2Mo4C2
8
63
84.07
mp-4930
12.433153
8.165305
0.554463
other
Ti2Al4O10
16
63
162.23
mp-2214874
9.155084
7.508415
-3.970535
other
Co2H2O4
8
63
69.42
mp-1208339
8.487271
1.285427
1.577029
other
Th10O2F38
50
63
721.76
mp-1191455
-4.121785
1.627782
3.103095
other
Ho6Mn2B14
22
63
247.6
mp-8857
-4.597276
-5.506039
0.227234
other
Cs4As4Pd2
10
63
344.77
mp-1191731
-4.092144
1.625503
3.097183
other
Er6B14W2
22
63
257.93
mp-1043057
7.616755
13.309977
-1.458168
other
Zn2Co8O12
22
63
217.11
mp-1025552
-8.150357
-4.264092
5.167737
other
Lu2Ga4Ni2
8
63
133.51
mp-1080611
-7.807588
-5.622118
4.046678
other
Ca2In4Ni2
8
63
171.1
mp-1078879
-7.240678
-6.065694
3.964705
other
Li2Pr2Sn4
8
63
198.87
mp-3034
-7.93237
-4.429976
5.248238
other
Mg2Al4Cu2
8
63
129.35
mp-18632
-5.906189
-1.254416
0.90155
other
Sr2Ni10P6
18
63
241.38
mp-22968
6.625246
5.895382
-3.4865
other
Na2Cl2O8
12
63
154.8
mp-1245551
0.750818
2.224675
1.913208
other
Cu2Os2N4
8
63
90.35
mp-9985
-4.910829
0.310132
3.09131
other
Nb2Ni2B2
6
63
67.2
mp-1079402
-5.374843
-3.347414
5.851682
other
Ce2Si4Ir2
8
63
148.48
mp-1080801
-2.70034
-2.812669
-5.562789
other
Nd2Lu2S6
10
63
229.22
mp-755121
10.36681
9.689181
0.607182
other
Ti2Bi4O10
16
63
261.36
mp-14964
10.280788
9.50221
3.212182
other
Pr6Ta2O14
22
63
322
mp-753912
9.678132
8.380918
3.201815
other
Ca2Tb4O8
14
63
205.42
mp-1211360
-6.468237
-6.75527
2.763621
other
Li16Eu2Sn14
32
63
720.06
mp-20479
-7.61092
-5.895761
3.547076
other
Sr2In8Ni2
12
63
282.7
mp-1248327
12.558098
10.90242
1.451817
other
Ti6Al6O18
30
63
314.38
mp-1080133
-7.686894
-4.987626
4.311335
other
Sr2Ga6Pd2
10
63
201.48
mp-1042943
13.146986
11.636007
-0.157807
other
Mg2V8O12
22
63
233.33
mp-1079853
-6.883011
-9.918467
4.977067
other
Sr2Mg4Pd2
8
63
202.82
mp-755168
14.318905
12.990809
-1.289461
other
V8O12F4
24
63
260.29
mp-9516
12.580115
7.190004
-0.177506
other
Al4Si2O10
16
63
151.86
mp-30125
-5.846166
-3.527449
-1.777764
other
Pr2Te4Se2
8
63
244.11
mp-20914
-8.453264
-5.110284
4.775727
other
Nd2In4Ir2
8
63
182.9
mp-531195
1.853764
2.091897
1.359645
other
Sr32N16F16
64
63
1,228.26
mp-1106202
-8.566664
-5.896043
4.454479
other
Ce4Zn10Sn2
16
63
325.68
mp-1071720
-8.588229
-5.020318
3.625113
other
Sc2Zn2Pd2
6
63
102.78
mp-756243
10.478483
0.148819
0.427204
other
Li4Mn2F10
16
63
183.35
mp-1205511
-3.603435
-4.312087
0.788443
other
Rb4Ni2P4
10
63
268.89
mp-27758
8.865708
1.104826
1.352464
other
Al2Tl4F10
16
63
288.73
mp-8147
-4.593359
-5.236116
0.12347
other
K4As4Pd2
10
63
283.1
mp-753218
11.062903
12.618953
-3.490032
other
Na2V4O10
16
63
236.27
mp-4748
10.499768
11.835038
3.260576
other
Na4Nb4O12
20
63
247.44
mp-1207773
-7.558582
-6.21854
6.139153
other
Y10Ni4Te4
18
63
456.84
mp-29979
-4.449229
0.374053
2.918118
other
Nb6B6C2
14
63
148.96
mp-756344
10.069962
11.692845
0.735229
other
Li8Zr2O8
18
63
200.42
mp-571109
-4.712361
-4.502258
6.073852
other
Li4Nd4Si6
14
63
278.43
mp-1213497
-8.227454
-3.379112
5.099852
other
Gd4Ga18Ir6
28
63
466.41
mp-29980
-4.408047
0.241996
2.920537
other
Nb8B6C4
18
63
194.57
mp-1201689
-9.199149
-0.816602
2.71734
other
La8Ni24B8
40
63
583.04
mp-1190894
-3.943648
1.602121
3.017349
other
Gd6Re2B14
22
63
268.42
mp-672325
-8.326867
-5.565217
5.039383
other
Tb2In4Ni2
8
63
165.03
mp-1043430
11.994696
11.730799
0.442633
other
Ca2Cr8O12
22
63
243.29
mp-1246055
4.643139
2.23792
-3.102621
other
Fe2C12N18
32
63
581.95
mp-551407
8.850557
7.057776
-4.038626
other
Co2Se2O8
12
63
144.59
mp-567404
-8.106066
-5.682756
3.462836
other
Yb2In8Pd2
12
63
289.09
mp-707273
5.265177
-0.284369
-2.810837
other
U2B8H32
42
63
372.91
mp-9539
8.695033
1.183721
1.819338
other
Eu2Mg2F8
12
63
171.34
mp-1192262
-4.194026
1.635367
3.157442
other
Ho6Fe2B14
22
63
245.59
mp-630019
-7.641042
-4.11183
5.818025
other
Gd2Al4Ni2
8
63
144.36
mp-12789
-6.889351
-1.863392
6.618033
other
Yb2Al20Fe4
26
63
408.72
mp-1104546
-5.621217
0.313074
3.260707
other
Co2B6Mo6
14
63
142.59
mp-21278
-8.141823
-4.949692
4.530789
other
Ce2In4Ir2
8
63
182.22
mp-1192485
-7.056666
-2.284387
6.596416
other
Yb2Al20Os4
26
63
432.53
mp-1246040
4.663161
2.27268
-3.107028
other
Ga2C12N18
32
63
539.99
mp-1209904
-6.913651
-1.902427
6.588188
other
Nd2Al20Fe4
26
63
422.87
mp-1025411
-5.247109
-3.509389
5.806024
other
Ce2Si4Rh2
8
63
147.24
mp-1209920
-7.701362
-3.282702
5.697223
other
Nd4Al18Rh6
28
63
477.85
mp-19074
11.607484
12.784138
0.267669
other
Ti2Fe2O6
10
63
101.61
mp-15685
-4.794508
-5.523949
0.579436
other
Na4Cu2As2
8
63
164.53
mp-1080573
-5.229167
-0.537508
2.606813
other
V6P2C2
10
63
112.25
mp-27566
8.022403
10.473438
-0.193705
other
K6Pt4O8
18
63
325.73
mp-22602
-8.168628
-6.43909
2.942157
other
Ca2In4Au2
8
63
189.56
mp-568030
-6.820685
-1.87364
6.47833
other
Th2Al20Fe4
26
63
404.85
mp-774174
8.314405
14.799208
-0.8785
other
Na2Mn4O8
14
63
146.82
mp-11338
-5.234511
-3.36374
5.472764
other
Sc6Si6Ni4
16
63
250.39
mp-1212826
-7.188311
-2.272187
6.489367
other
Er2Al20Ru4
26
63
415.18
mp-16518
-7.312086
-3.466694
6.060977
other
Tm2Al8Ni2
12
63
199.75
mp-1047341
9.611156
8.637067
-0.007791
other
Ca2Bi4O8
14
63
222.93
mp-1276812
12.333674
11.738633
-1.152852
other
V4Re4O16
24
63
251.33
mp-12630
9.025059
6.630198
-4.190156
other
Mg2Se2O8
12
63
144.64
mp-27796
3.155144
-0.712574
-2.114462
other
Li8H10Rh2
20
63
167.7
mp-1192238
10.364099
9.446926
3.171689
other
Sm6Ta2O14
22
63
308.35
mp-763017
5.280508
12.02114
-2.437822
other
Fe8O12F4
24
63
265.07
mp-1213792
-7.473748
-4.140163
5.203701
other
Ce2Al8Pd2
12
63
225.8
mp-31191
-7.960351
-2.813137
5.067047
other
Sc6Co4Ge6
16
63
265.99
mp-1211131
-6.771209
-2.267918
6.301753
other
Mn16Al54Zn6
76
63
1,143.71
mp-28467
-5.244578
-3.043936
-4.202903
other
Cs4Cu10Se8
22
63
514.24
mp-1191254
-4.12688
1.582957
3.113322
other
Ho6B14W2
22
63
260.76
mp-1207966
-7.607331
-3.178498
5.692038
other
U4Al18Ir6
28
63
467.79
mp-1079568
7.507425
11.213719
-0.540016
other
Na2Ir2O6
10
63
111.77
mp-1179506
11.356554
10.255897
1.016932
other
Ta4Sb4O16
24
63
468.19
mp-1042941
10.757056
12.079233
2.241477
other
Ti4Zn2O10
16
63
220.53
mp-759922
9.9095
13.002568
-0.718245
other
In2Fe22O32
56
63
640.07
mp-1045888
11.017097
9.310822
0.195886
other
Zn2Sn10O14
26
63
393.3
mp-1208535
-8.257387
-3.31765
5.119352
other
Tb4Ga18Ir6
28
63
462.61
mp-569071
-7.486554
-5.931425
6.129419
other
La10Al6Ni4
20
63
512
mp-1208906
8.962206
2.602077
1.538927
other
Sn4I2F4
10
63
243.51
mp-1205533
-1.220827
2.867193
-3.011022
other
Tl2Sn2I6
10
63
410.19
mp-11392
-8.61377
-4.958216
4.192173
other
Tm2Ga4Pd2
8
63
142.43