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-1208993
-8.581319
-0.847904
4.979187
other
Sm6Zn6Co12
24
194
383.3
mp-10662
8.579846
3.733614
-7.051075
other
K4C2O6
12
194
194.62
mp-1218018
-6.790584
-1.752574
3.287947
other
Ta4Ga2Ni6
12
194
162.21
mp-973586
-1.876568
0.462499
2.39868
other
Lu2Al6C6
14
194
168.85
mp-1209827
-3.309649
-3.821796
0.699897
other
Nd2Zn6P6
14
194
280.01
mp-1213111
-4.943117
-4.147495
5.896196
other
Dy8Si12Pd4
24
194
460.74
mp-13221
-9.637883
-4.680215
3.977385
other
Nd2Mg4Cu18
24
194
348.05
mp-1226946
-7.765048
1.000793
5.0703
other
Ce2Y2Fe34
38
194
518.29
mp-1212453
12.505936
9.125723
2.341231
other
Hf18Mo8O6
32
194
545.37
mp-8948
-5.951839
-3.996376
0.846246
other
Ce2As2Pd2
6
194
131.05
mp-1198904
-8.395949
-6.790236
3.835322
other
Ca8Mg26Zn58
92
194
1,666.73
mp-643573
3.214684
-0.594561
-2.078672
other
Mg6Mn2H14
22
194
190.17
mp-1219226
-6.114934
-0.58768
3.200425
other
Si2Ni6W4
12
194
144.08
mp-1071618
-8.053225
-5.439716
3.418543
other
Nd2Cu2Sn2
6
194
141.98
mp-30223
-6.904813
-2.461579
5.516725
other
La4Fe4I2
10
194
278.88
mp-1092281
-3.794416
-0.390893
2.942125
other
Ti4Tl2C2
8
194
122.34
mp-1215663
-7.23333
-2.040579
3.567457
other
Zr4Si2Ni6
12
194
170.74
mp-1195916
-8.45555
-0.127154
4.471921
other
Ho4Cr4Co30
38
194
478.4
mp-1198100
-7.613643
0.864572
5.076591
other
Tm4Al4Fe30
38
194
502.24
mp-1218121
-6.656996
-1.139605
3.913661
other
Ta4Ga2Co6
12
194
158.72
mp-31141
-6.011011
-6.142629
0.975601
other
Sr2Bi2Au2
6
194
176.33
mp-1188839
-3.737527
-0.423483
2.886018
other
Nb8Si2C6
16
194
204.78
mp-10892
-8.068196
-2.405078
2.786836
other
Mn2Al2Pt2
6
194
89.12
mp-554416
-4.12769
-0.123095
-3.515372
other
Ta8Fe2S16
26
194
472.25
mp-1080570
-0.472229
1.396686
-4.855116
other
Cs2Ni2Br6
10
194
310.32
mp-1078970
-7.824321
-3.800165
3.055099
other
U2Sn2Pt4
8
194
175.55
mp-20886
-7.407318
-5.85318
4.173509
other
Ce4Zn4Sn4
12
194
305.7
mp-22237
-8.774947
-5.200898
4.469652
other
Ce2Mg2Cu4
8
194
155.56
mp-9873
-6.332873
-6.255586
3.911534
other
Eu2Zn2Ge2
6
194
137.43
mp-1207427
12.360548
8.997153
2.708484
other
Zr18Mo8O6
32
194
564.21
mp-1205732
2.328418
2.855158
-4.194603
other
V2N2Cl6
10
194
273.32
mp-997162
8.807249
14.478016
-1.10556
other
Mn2Ag2O4
8
194
105.71
mp-1194088
2.205502
2.796765
-4.384419
other
Mo4N6Cl18
28
194
781.23
mp-1025063
-7.858178
-4.372086
3.54958
other
Li2Al2Pt2
6
194
81.25
mp-1197772
-8.356548
-0.50415
4.537927
other
U4Co30Ge4
38
194
479.14
mp-1210018
-4.997061
-4.203866
5.851933
other
Nd8Si12Pd4
24
194
501.95
mp-1209009
-7.1634
-0.969221
5.015809
other
Sc4Mn6Si2
12
194
167.36
mp-9574
-4.976661
-5.728058
0.621773
other
Na2Be2Sb2
6
194
141.26
mp-662499
1.31252
2.486961
-5.76499
other
Rb6Mg6Cl18
30
194
767.7
mp-1101973
-6.326604
-3.634339
0.892863
other
Yb4As4Pt4
12
194
250.37
mp-769119
11.783937
8.889726
2.170156
other
Yb2Sc2O4
8
194
96.4
mp-1019256
-7.70168
-7.397187
5.550025
original
Sm2Tl2Zn2
6
194
143.52
mp-13008
-7.040955
-3.802394
5.464865
other
Nd2Cr2Ge6
10
194
189.28
mp-1212933
-6.008523
-3.286008
0.518371
other
Er4Ni4As4
12
194
210.56
mp-1214979
-6.432137
-6.875955
3.185309
other
Ba6Li2In22
30
194
922.47
mp-570420
-4.583661
-1.039289
-2.845854
other
Nb8Cr4Se16
28
194
562.74
mp-1389035
11.348463
9.203611
1.007415
other
Y2Sb2O6
10
194
158.7
mp-971633
7.736328
13.522211
-1.099997
other
Na2Fe2O4
8
194
80.94
mp-1194092
-5.852791
-2.996941
4.047882
other
Hf18Mo8S2
28
194
557.03
mp-5443
-4.210877
-0.890648
3.03473
other
Nb4Sn2C2
8
194
128.53
mp-1102777
-5.328368
-1.750362
0.899736
other
Sm4Ni4P4
12
194
212.04
mp-1079175
-8.62646
-6.041077
2.27732
other
Mg2Ga2Au4
8
194
144.79
mp-1220296
-7.727712
1.011287
5.060578
other
Nd2Er2Fe34
38
194
520.35
mp-28522
-0.326316
0.800703
-2.53284
other
Gd4C2Br2
8
194
172.5
mp-10749
-5.371203
-5.695454
0.676638
other
Sr2Cu2Sb2
6
194
157.07
mp-1220732
-6.901108
-1.877824
3.20098
other
Nb4Si2Ni6
12
194
158.38
mp-1078494
-5.496744
-0.118379
3.391937
other
Cr4Si2C2
8
194
85.24
mp-1192651
5.370955
10.766862
-0.948428
other
Ba6Fe6O18
30
194
377.74
mp-1025009
-6.780578
-1.777589
1.71885
other
Co2Ni2Sb2
6
194
83.89
mp-1198477
-7.219526
-0.413728
2.901157
other
Ni20W6C6
32
194
370.11
mp-1215817
-7.695934
-1.626049
4.451044
other
Zr4Ga2Co6
12
194
168.99
mp-1208161
8.835158
2.37717
1.919237
other
U12Tl2F50
64
194
963.89
mp-1209411
-5.012778
-4.182065
5.819334
other
Pr8Si12Pd4
24
194
512.09
mp-1215595
-7.122713
-0.38275
5.281952
other
Zr4Al2Fe6
12
194
183.08
mp-28283
1.342554
2.141947
-4.850029
other
Cs2Ti2Cl6
10
194
281.02
mp-1192670
-5.858315
-2.925076
3.9508
other
Hf18Mo8P2
28
194
558.03
mp-2646985
-0.485741
1.72597
2.43409
other
V4Ga2N2
8
194
94.1
mp-1191769
-9.128093
-1.636111
3.065309
other
Lu6Al2Ni16
24
194
342.14
mp-1226844
-7.399963
-1.347119
5.667365
other
Ce4Mn6Al2
12
194
212.26
mp-583202
-7.497626
-1.267408
2.974751
other
Mn2Ni2Ge2
6
194
80.23
mp-1180495
-5.50226
-0.18854
3.341047
other
Mn6W20C8
34
194
445.61
mp-754138
9.614808
8.184156
1.920675
other
Cs2Dy2O4
8
194
147.44
mp-8786
-5.893212
-2.645654
2.013144
other
Zr4Ni2As4
10
194
175.08
mp-1214094
-8.512272
-0.489476
4.891217
other
Ce6Co16Si2
24
194
340.85
mp-8124
-5.247303
-4.385015
5.112484
other
Yb2Cu2Si2
6
194
116.45
mp-1193199
-6.285046
-2.69057
4.275239
other
Hf18Re8P2
28
194
545.5
mp-696944
-0.260673
0.760026
-3.659976
other
La2H2Br4
8
194
217.54
mp-1095305
-6.422565
-4.860685
0.805125
other
Nd4Sb4Au4
12
194
311.55
mp-1205726
-1.486016
1.022879
-1.343119
other
Y4Co4I2
10
194
233.76
mp-27208
1.309045
2.478095
-5.751904
other
Rb4Mg4Cl12
20
194
517.51
mp-10333
-3.32266
-3.848402
0.695671
other
Pr2Zn6P6
14
194
282.68
mp-569834
-8.691244
-5.142615
3.298242
other
Li2Cu4Sn2
8
194
119.47
mp-8432
-3.765534
-4.310005
0.809464
other
Ca2Cu2P2
6
194
110.15
mp-607182
-5.139967
-4.275978
5.686095
other
Gd2Cu2Si2
6
194
114.32
mp-1443298
12.084129
9.868363
2.301829
other
Y2Ti2O6
10
194
130.1
mp-567220
-5.302717
-2.809392
2.272604
other
Hf4Sb2P2
8
194
163.71
mp-1191861
-5.044497
-3.877608
5.974509
other
Tb8Si12Rh4
24
194
461.64
mp-1093998
-4.218894
-1.432414
-6.032945
other
Zn4Ga4S10
18
194
358.61
mp-1079892
-5.3269
-0.240504
3.274206
other
Al2W4C2
8
194
107.58
mp-722181
-3.665227
-1.788059
-5.440073
other
K2Li2S2
6
194
134.78
mp-16254
-3.430788
-4.482847
1.112193
other
Ba2Cu2P2
6
194
141.2
mp-1208144
-7.119178
-0.462133
4.276268
other
Tm4Mn34C6
44
194
511.93
mp-1275986
8.005054
11.427365
1.40376
other
Y4Fe4O12
20
194
252.68
mp-1019110
-8.455286
-6.795349
3.345449
other
Sm2Pb2Au2
6
194
155.5
mp-1208531
-4.955219
-4.072901
5.882371
other
Tb8Si12Pd4
24
194
465.16
mp-8456
-6.038607
-3.780297
0.809021
other
Sr2As2Pt2
6
194
142.28
mp-29459
-0.908812
1.322549
-4.289208
other
Rb6Mo4Br18
28
194
968.34
mp-29575
1.478394
2.665556
-5.775686
other
Cs6Fe4Cl18
28
194
880.64
mp-1079205
-5.757017
-3.766204
0.597198
other
Tb4Ni2As4
10
194
207.46
mp-1018946
-8.055542
-5.951777
5.544516
other
Pr2Zn2Ga2
6
194
134.47