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-1190991
2.741584
2.995233
-4.283509
other
Re2Pt2N8Cl12
24
64
606.97
mp-757277
10.094725
13.214423
0.565102
other
Li8Ti8Co4O24
44
64
483.23
mp-1197804
-2.701351
-0.694117
-4.654139
other
Cu4P16S12Br4
36
64
886.97
mp-14977
12.983381
6.162426
-0.626946
other
Na12Y4Si24O60
100
64
1,421.39
mp-555990
11.765064
8.107621
1.504595
other
Er8Si4S4O16
32
64
455.71
mp-1192471
4.037792
2.706458
-3.47761
other
Pd2C8Br8N4
22
64
602.79
mp-1177992
6.690897
15.909932
-1.516171
other
Li4Mn2Co4O12
22
64
227.44
mp-756636
8.751899
13.546577
-0.851155
other
Li4Fe4Sn2O12
22
64
235.44
mp-1195832
9.360457
1.647107
-3.987221
other
Si2H24N8F8
42
64
404.84
mp-557979
-3.783026
-1.162511
-5.310563
other
Mn4Tl8As8S20
40
64
1,034.07
mp-1194612
10.626374
9.795745
-1.379973
other
Y4Nb4Te8O32
48
64
699.2
mp-1192649
2.911009
3.062856
-4.224365
other
Os2Pt2N8Cl12
24
64
581.23
mp-774781
7.166527
13.427567
-1.214414
other
Li4Ni4Sn2O12
22
64
237.64
mp-667360
8.351796
1.588609
0.096832
other
Cs12Sb12O12F48
84
64
1,690.83
mp-9703
-4.663016
-5.470589
0.36105
other
K8Li4Ga4As8
24
64
615.64
mp-777153
6.045351
12.708638
-1.532441
other
Li4Fe4Ni2O12
22
64
224.25
mp-9722
-4.703468
-5.35116
0.265698
other
Na8Li4Ga4As8
24
64
510.2
mp-1213087
8.047641
2.419285
-1.652833
other
Cu2H4N4F8
18
64
220.38
mp-1196943
10.531332
7.719304
2.994412
other
La16Zn8Se16O16
56
64
1,198.62
mp-756434
5.947862
12.873295
-1.575795
other
Li4Fe2Ni4O12
22
64
213.26
mp-558894
9.428699
10.279449
2.804494
other
Ba8Ti4Pt2O20
34
64
529.25
mp-1221070
-0.528042
2.648381
-3.701757
other
Rb4Cr2I4Cl4
14
64
1,043.13
mp-560789
7.940798
2.360515
-1.034627
other
Sb4I4Cl8F24
40
64
888.68
mp-16691
10.637373
12.405352
2.237015
other
Sr4Li8Ti24O56
92
64
1,091.82
mp-1213469
1.099079
1.682084
-4.022776
other
Cs2Zr12Mn2Cl28
44
64
1,176.27
mp-12187
12.951165
6.270279
-0.705115
other
Na8Mg8Si24O60
100
64
1,320.88
mp-26317
14.998063
7.968174
-5.098303
other
Li4Cr4P4O16
28
63
301.72
mp-1192277
5.648304
3.423707
-4.643977
other
Mn2C10I2O10
24
63
469.63
mp-1101801
-4.627378
-3.593808
-3.882838
other
Ba2Y2Cu2Se6
12
63
317.23
mp-1206795
-6.888287
0.398425
4.740619
other
Sm2Fe4Si2C2
10
63
136.1
mp-1147561
-3.502628
-1.600083
-5.611139
other
Ba2Cu2S2O2
8
63
155.24
mp-1192205
-4.684096
-3.709177
-3.999366
other
K2Ho4Cu6Se10
22
63
498.51
mp-559030
8.51375
3.596808
-6.061821
other
K2B2C8O16
28
63
399.39
mp-1205579
-6.599004
-1.059349
4.071203
other
Dy2Si2Os4C2
10
63
153.52
mp-1205587
-5.708478
-0.647205
2.126662
other
Er2P2Ru4C2
10
63
146.46
mp-1209986
8.56437
1.127204
1.852018
other
Na2Li2Er4F16
24
63
311.2
mp-1208671
9.865469
7.490025
-3.289774
other
Sr2Mn4Si4O20
30
63
365.37
mp-1214348
-5.892384
-3.805224
-1.723056
other
Ba2La2Ag2Te6
12
63
419.61
mp-1201057
6.501628
0.804861
-3.626266
other
Ba2B24H24O12
62
63
849.17
mp-18951
14.856963
7.857863
-5.406753
other
Li4Fe4P4O16
28
63
293.67
mp-1205528
-6.531067
-1.093355
4.057565
other
Sm2Si2Os4C2
10
63
157.07
mp-756201
11.880864
12.451671
-2.374892
other
Li2V2Fe2O8
14
63
162.29
mp-1105382
8.952775
3.704713
-6.750285
other
Na4Ca2C4O6
16
63
233.13
mp-14969
-3.205606
-2.140505
-5.620594
other
Ba2Er2Cu2S6
12
63
274.77
mp-1213716
11.49091
10.174382
2.570584
other
Cs4La2Nb4O14
24
63
400.56
mp-754884
11.94366
0.611543
0.830691
other
Li2Fe4O4F6
16
63
194.78
mp-12488
-5.985099
-3.673962
-1.909163
other
Cs2Er2Cd2Te6
12
63
455.62
mp-1214402
-5.882363
-3.757015
-1.776101
other
Ba2Nd2Cu2Te6
12
63
397.34
mp-754153
10.111278
2.938815
-3.885455
other
Li4H8Br4O4
20
63
268.19
mp-1189477
8.815913
0.960085
-0.227904
other
Cs4Fe2O2F10
18
63
398.06
mp-1205882
-4.900845
-0.953542
3.657027
other
Er2Re4Si2C2
10
63
156.49
mp-1206552
9.197302
8.233478
-0.512203
other
Ba2Bi2Br2O4
10
63
243.08
mp-556896
8.501053
9.236002
1.210296
other
Ba8Ag2Au2O12
24
63
460.08
mp-754206
9.53924
8.320881
-0.625937
other
Li2Bi6Cl4O8
20
63
376.12
mp-1103275
-3.312191
-2.014915
-5.645124
other
Ba2Y2Cu2S6
12
63
282.75
mp-1095273
-5.89123
-3.729172
-1.798536
other
Ba2Gd2Cu2Te6
12
63
386.67
mp-581696
-4.740955
-3.64647
-3.947548
other
Cs2Lu4Cu6Se10
22
63
505.21
mp-1078227
9.427341
9.150424
1.596733
other
Ba2Co2S2O2
8
63
161.02
mp-1104469
-5.919267
-3.664979
-1.916349
other
Cs2Gd2Zn2Te6
12
63
448.16
mp-1190489
7.859689
10.465974
1.767591
other
La2Tb4Ru2O14
22
63
299.4
mp-862802
-3.475696
-1.746421
-5.004628
other
Cs2Np2Cu2S6
12
63
317.5
mp-1205607
-6.575165
-1.129314
4.043029
other
Tm2Si2Os4C2
10
63
151.35
mp-1190785
-3.706198
-2.017751
-5.766472
other
Cs2Dy4Cu6S10
22
63
473.17
mp-1103104
2.392478
2.956109
-4.41545
other
K2Pt2N2Cl6
12
63
361.11
mp-1188203
8.935962
1.702001
-0.300247
other
Rb4V2O4F8
18
63
348
mp-1214381
-5.896797
-3.761268
-1.784799
other
Ba2Pr2Cu2Te6
12
63
404.41
mp-1225383
10.369109
9.464936
3.335739
other
Dy4Y2Ta2O14
22
63
297.5
mp-12494
-5.936455
-3.729057
-1.883185
other
Cs2Pr2Cd2Te6
12
63
494.85
mp-1103557
11.395056
12.572824
-3.050149
other
Mg2V2Cu2O8
14
63
161.36
mp-1104020
-4.38036
-3.373408
-3.373467
other
Cs2U2Au2Se6
12
63
371.01
mp-558597
8.545494
1.115826
1.80367
other
Na2Li2Y4F16
24
63
317.34
mp-1212752
-3.293685
-2.314984
-5.674448
other
Eu2Lu2Cu2S6
12
63
246.19
mp-1197460
10.254472
7.87588
-1.805302
other
Al8Fe2Si4O24
38
63
377.78
mp-574472
-4.558123
-3.592705
-3.693618
other
Cs2Ce2Hg2Se6
12
63
414.5
mp-1297690
8.756589
11.797568
-0.125226
other
K2Li4Fe2O6
14
63
177.29
mp-1981530
5.893228
10.890665
0.068514
other
Sr2Eu4Fe4O14
24
63
295.13
mp-1190149
-6.129491
-3.545325
-1.920226
other
Rb2Tb4Ag6Te10
22
63
694.13
mp-1095278
-5.913538
-3.789229
-1.742104
other
Ba2Tb2Ag2Te6
12
63
399.52
mp-1210006
8.660049
1.106212
1.813619
other
Na2Li2Tm4F16
24
63
302.11
mp-2646988
-6.21547
-0.398904
3.625893
other
Sc8Al12Mo16C12
48
63
689.9
mp-1218364
9.779652
11.083793
3.235124
other
Sr2Ca2Ti4O12
20
63
239.37
mp-1205543
-6.950207
0.375895
4.718744
other
Tb2Fe4Si2C2
10
63
133
mp-1103178
-5.932088
-3.742699
-1.855092
other
Cs2Nd2Cd2Te6
12
63
487.68
mp-1194309
8.638002
7.825863
-2.633731
other
Ca2Al4Si4O20
30
63
336.8
mp-755433
9.95802
1.22792
-1.411003
other
Li2Co4O4F6
16
63
187.86
mp-638078
-5.976417
-3.658115
-1.933294
other
Cs2Tb2Zn2Te6
12
63
452.88
mp-1218174
11.458342
10.470746
1.40117
other
Sr4La4V4O16
28
63
391.92
mp-561744
7.708961
10.954801
-0.603421
other
Na8Co2Au2O10
22
63
298.8
mp-1191228
-4.519953
-3.682876
-3.909419
other
Cs2Gd4Ag6Se10
22
63
592.5
mp-638086
-3.659052
-1.842854
-5.418896
other
K6Th4Cu6S14
30
63
718.23
mp-867830
-4.318494
-3.369854
-3.398787
other
Rb2U2Au2Se6
12
63
352.5
mp-1190516
-6.066523
-3.618536
-1.882281
other
Cs2Sm4Ag6Te10
22
63
729.01
mp-1209070
-4.725956
-3.419175
-3.756283
other
Rb2Yb2Zn2Se6
12
63
358.95
mp-1218298
6.306764
10.849031
0.255918
other
Sr2Eu2Ni2O8
14
63
182.92
mp-1080794
-5.610975
-0.603068
2.086963
other
Tb2P2Ru4C2
10
63
148.48
mp-1095616
-3.062125
-2.160662
-5.640961
other
Ba2Nd2Ag2S6
12
63
310.86
mp-10834
-2.875895
-2.59269
-5.738306
other
Rb2Nd4Cu2S8
16
63
404.79
mp-561647
8.563796
1.225149
0.449028
other
Cs4Te2O2F8
16
63
376.69
mp-573935
-4.777704
-3.33288
-3.735022
other
Cs2Yb2Zn2Se6
12
63
375.92
mp-781865
0.565184
1.837034
-2.036786
other
Ca10B2C8Cl6
26
63
510.49