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-1216362
11.69141
7.732049
-3.844039
other
V1P1Pb3O8
13
160
191.56
mp-1235504
10.118681
8.759457
2.718844
other
Li1Er1Tl1O2
5
160
92.75
mp-1224911
9.986728
4.891372
-5.018315
other
Fe3H9S2O15
29
160
278.43
mp-756504
8.769513
14.364206
-1.311933
other
Li1Mn3Cr1O8
13
160
142.93
mp-1221756
-4.803763
-2.022372
-4.861415
other
Mn1In2Se2S2
7
160
176.99
mp-1222530
8.554055
12.334501
-0.933438
other
Li1Fe2Rh3O8
14
160
157.68
mp-1215534
-3.445855
-0.068735
2.881993
other
Zr2Nb1Mo1C4
8
160
95.71
mp-1226971
-5.781291
-3.376986
-2.512599
other
Cd2Bi2Te3Se3
10
160
296.06
mp-1226423
-5.709599
-0.434215
-5.421546
other
Cr8Fe3Ni1S16
28
160
486.16
mp-2226404
11.487814
11.037439
0.533586
other
Na1Mg1Mn1O2
5
160
74.81
mp-1215445
-4.823708
-3.695539
-2.492556
other
Zn1Ga1As1Se1
4
160
94.68
mp-775209
12.62738
11.653536
1.642716
other
Li2Mn1Nb3O8
14
160
168.13
mp-2210709
10.447892
10.484344
1.71969
other
Sr1Mg1Mn1O3
6
160
93.09
mp-2225602
8.878212
11.93626
-0.658577
other
Mg1Ni1Ag1O2
5
160
66.76
mp-1217292
10.178911
10.56074
1.509651
other
Ti3Te1Pb4O13
21
160
286.67
mp-2217786
11.390642
10.004637
1.048976
other
Ba3Mg1W1O6
11
160
206.44
mp-756832
10.120675
13.741425
-0.816792
other
Li2Cr3Sn1O8
14
160
151.98
mp-23771
8.716354
3.327368
-5.624912
other
Sm1H3C3O6
13
160
132.73
mp-731917
6.215052
3.541366
-3.473095
other
Zr1C8N2Cl6
17
160
325.86
mp-2224263
12.046844
10.299366
0.93834
other
Eu1Mg1V1O3
6
160
84.76
mp-1228698
-4.28247
-1.297343
-6.02882
other
Al4In1Ag1S8
14
160
277.53
mp-1029072
-9.110804
3.056592
-4.686637
other
Te4Mo2W2S4
12
164
376
mp-1228238
5.803743
10.582085
0.026435
other
Ba6Ti2Fe4O18
30
164
407.33
mp-1027091
-6.315639
2.251194
-5.132647
other
Mo2W2Se4S4
12
164
338.91
mp-1214516
9.767664
10.636986
3.19134
other
Ba12Nb8Ni4O36
60
164
849.62
mp-2228511
11.751819
11.513174
-1.918632
other
Mg1Tl4V2O7
14
164
280.81
mp-1227018
12.167227
7.767157
0.579142
other
Eu2Mg2Al22O38
64
164
626.11
mp-13038
9.979536
6.791819
-0.26282
other
Dy2C1N2O2
7
164
99.18
mp-1222590
7.527885
14.819157
-1.117385
other
Li3Al1Co2O6
12
164
105.8
mp-1209122
11.653414
11.08881
-2.50539
other
Rb1Tm1W2O8
12
164
258.93
mp-1227023
0.996832
2.142647
-1.261338
other
Ca6Br2N3Cl1
12
164
243.32
mp-12047
7.583179
9.946335
-1.098418
other
K3Na1Ru2O8
14
164
249.85
mp-1209357
13.195824
5.675974
-5.881441
other
Rb3Y1P2O8
14
164
226.17
mp-1209305
10.19524
7.076668
-5.397094
other
Rb3Yb1P2O8
14
164
230.77
mp-1223080
11.063559
10.570477
2.896647
other
La2Ti3Ag1O9
15
164
182.65
mp-560620
14.172447
4.916486
-7.237942
other
Ba1Zr1P2O8
12
164
181.08
mp-1206187
1.535809
2.655528
-5.556884
other
Rb2Li1Rh1Cl6
10
164
267.09
mp-1103457
-3.373651
-4.139856
0.731275
other
Eu3Zn2Cu2P4
11
164
217.97
mp-554683
12.406661
11.252348
-2.113723
other
Na6Fe4Mo10O32
52
164
628.72
mp-13630
8.653028
0.708763
1.487897
other
Rb3Na1Be2F8
14
164
224.74
mp-9499
10.098269
6.943472
-0.252701
other
Sm2C1N2O2
7
164
106.97
mp-1175209
3.401186
23.628094
-1.432554
other
Li7Mn2Co3O12
24
164
221.34
mp-22234
8.70507
6.828209
-1.925819
other
Eu2C1N2O2
7
164
107.91
mp-1223672
5.974461
8.865709
-1.187188
other
K2Ba1Bi3O9
15
164
241.43
mp-1025352
10.882433
8.349134
2.206511
other
Ce2C1N2O2
7
164
111.12
mp-696590
10.11262
1.997383
-3.800637
other
Ti1H8N2F6
17
164
135.66
mp-1213686
11.498483
11.22525
-3.870934
other
Cs2Cr2Mo4O16
24
164
476.9
mp-1220767
6.935939
12.06758
1.71757
other
Na2La4Mn6O18
30
164
346.5
mp-764154
10.433162
0.764017
0.614788
other
Li2Co4O2F6
14
164
160.27
mp-1029066
-9.785612
2.71103
-4.190584
other
Te4Mo2W2Se4
12
164
401.95
mp-1022733
8.753362
11.044133
2.332699
other
Ba6Nb3Fe3O18
30
164
430.53
mp-1028830
-9.739904
2.642533
-4.225142
other
Te4Mo2W2Se4
12
164
400.2
mp-1216714
-4.189687
-0.663344
3.033516
other
Ti2Nb2Al2C2
8
164
115.37
mp-18837
11.519606
11.238091
-3.913244
other
K1Sc1Mo2O8
12
164
222.1
mp-18730
6.15128
9.855626
-2.040539
other
K6Na2Fe4O16
28
164
462.71
mp-1210403
8.193063
2.210529
-1.077293
other
Na1Be2N3F8
14
164
203.67
mp-630773
-4.030773
-1.405511
-5.879405
other
Cd2In2Ga2S8
14
164
336.43
mp-1228272
9.687217
9.058526
2.514632
other
Ba3U1In2O9
15
164
241.55
mp-1228847
-5.158995
0.132512
3.040167
other
Al2V2Cr2C2
8
164
92.52
mp-1227977
0.472509
1.494931
-0.582454
other
Ba6Br2N3Cl1
12
164
355.16
mp-1227988
13.077692
5.531322
-6.23163
other
Ba1Be2P2O8
13
164
169.56
mp-546864
10.078016
7.074376
-0.320884
other
Y2C1N2O2
7
164
96.8
mp-9498
10.282005
7.087775
0.019448
other
Nd2C1N2O2
7
164
111.55
mp-1213076
11.540637
11.148629
-3.907094
other
Cs1Lu1Mo2O8
12
164
254.72
mp-1209373
11.015738
11.982309
-3.137085
other
Rb3Gd1V2O8
14
164
258
mp-1228141
9.652002
10.351906
3.418898
other
Ba3Ca1Ta2O9
15
164
227.67
mp-1080170
-6.383547
2.363378
-5.235279
other
Mo2W2Se4S4
12
164
333.48
mp-1214475
9.728436
10.601766
3.309655
other
Ba3Ta2Zn1O9
15
164
213.11
mp-2218457
-5.892991
1.894343
-4.901493
other
Mg1Mo2W2S8
13
164
387.19
mp-1218904
11.570412
9.99025
2.587193
other
Sr1La2Ti3O9
15
164
184.52
mp-754758
8.327541
13.892331
-0.744933
other
Li4Fe2O4F2
12
164
110.51
mp-1209347
11.003276
12.185006
-3.216157
other
Rb3Sc1V2O8
14
164
240.73
mp-1029259
-9.812578
2.652506
-4.194117
other
Te4Mo2W2Se4
12
164
399.83
mp-32310
9.753001
10.749396
3.24291
other
Ba12Ta8Ni4O36
60
164
842.16
mp-19362
11.263616
11.052776
-3.99984
other
K2Fe2Mo4O16
24
164
392.03
mp-1209350
11.02152
12.014971
-3.111929
other
Rb3Y1V2O8
14
164
255.97
mp-555552
10.290876
4.297154
-6.997871
other
K2Na2S2O8
14
164
203.11
mp-1210238
11.728696
7.232762
-3.747395
other
Na3Pr1As2O8
14
164
227.67
mp-1029077
-6.350332
2.321156
-5.197354
other
Mo2W2Se4S4
12
164
337.87
mp-1212175
11.772019
7.351934
-2.292577
other
Mn16Si12Cl2O48
78
164
1,109.11
mp-1217141
0.680947
1.31913
2.783613
other
Ti4Al2C1N1
8
164
109.01
mp-1104363
10.969648
12.235912
-3.326955
other
K3Sc1V2O8
14
164
220.67
mp-556996
8.956363
0.776559
1.429102
other
K6Li3Al3F18
30
164
359.21
mp-8220
-3.904028
-3.708191
0.691629
other
Li1Tb1Cu2P2
6
164
89.83
mp-2218256
11.28903
11.058147
-2.51079
other
Mg1Mn1Re2O8
12
164
175.56
mp-1209477
10.423613
9.823359
0.57934
other
Rb2Li4U1O6
13
164
189.33
mp-1207435
6.864258
10.248384
-1.898983
other
Zn1Cu3Cl2O6
12
164
171.93
mp-1208637
7.355974
11.900255
2.108135
other
Sr1La2Mn3O9
15
164
180.53
mp-19352
11.286982
11.146935
-3.960472
other
K1Al1Mo2O8
12
164
201.45
mp-643575
9.021598
4.934598
-4.090457
other
Co4H48Br8O56
116
164
1,307.24
mp-1214424
10.071856
7.074009
-5.54251
other
Ba1Na3P2O8
14
164
195.44
mp-1223493
11.835481
10.313893
2.546211
original
K1Ba2Nb3O9
15
164
210.47
mp-1214603
10.543907
7.898793
0.992273
other
Ba3Cd1Ge2O8
14
164
224.96
mp-1209291
10.241784
12.061345
-3.527788
other
Rb3Yb1V2O8
14
164
253.75
mp-24030
13.570585
5.548341
-6.781236
other
Zr1P2H2O6
11
164
154.09
mp-1218299
-5.178571
-3.651684
0.932328
other
Sr1Eu1P2Pt2
6
164
132.6
mp-634466
8.487966
4.804013
-4.013011
other
Hg1H12Cl2O14
29
164
308.41
mp-1103762
13.191732
5.62566
-5.993601
other
Rb3Er1P2O8
14
164
235.36
mp-1235700
11.068974
8.383261
2.655919
other
Li1Sm2S1O2
6
164
98.21
mp-6474
9.744297
10.433249
3.324909
other
Ba3Mg1Nb2O9
15
164
214.13