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-1198744
7.183568
12.10759
1.843499
other
Ca4La4Mn8O24
40
31
467.6
mp-560625
10.073918
10.726542
-3.133097
other
Re2Pb2Cl2O8
14
31
262.44
mp-1049283
8.895698
8.754756
0.047721
other
Ho2Zn2Bi4O12
20
31
306.66
mp-1227156
7.285518
12.242878
1.716439
other
Ca2Tb2Mn4O12
20
31
226.35
mp-757250
13.453884
7.404368
-0.856582
other
Li12Mn6Si12O36
66
31
750.79
mp-1224412
-6.09207
-3.477508
-1.930815
other
K6Sm8Cu10Te20
44
31
1,318.21
mp-1189056
-4.606919
-1.312089
-5.796152
other
Mg2Cu4Ge2S8
16
31
314.65
mp-1210667
-5.938124
-3.219498
-2.206356
other
Mn2Si2Ag4Te8
16
31
501.49
mp-753828
12.74744
7.282378
-1.539726
other
Li8Co4Si4O16
32
31
337.34
mp-1049311
8.76082
8.656893
0.58169
other
Ca2Ho2Bi4O12
20
31
304.07
mp-720570
10.958622
3.860658
-4.272525
other
Na4P2H22O16
44
31
430.03
mp-1220739
7.799899
9.199578
-0.891715
other
Na2Yb2Ti4O12
20
31
226.77
mp-1044793
6.218486
11.993614
-0.824431
other
Pr2Zn2Co4O12
20
31
220.8
mp-1214926
-3.944737
-1.434852
-5.957076
other
Ag4Sn2Hg2S8
16
31
410.86
mp-1044908
11.678678
10.473159
2.501405
other
Ho2Mg2Ti4O12
20
31
219.01
mp-620033
9.516807
7.042026
-3.507935
other
Ba4Cu4Se8O24
40
31
662.89
mp-1225886
-3.859273
-1.925418
-5.336679
other
Cu2Bi6Pb2S12
22
31
531.27
mp-766406
13.541405
7.516387
-0.842554
other
Li12V4Si12O36
64
31
808.02
mp-12023
-4.726571
-1.192545
-5.828948
other
Mn2Cu4Si2S8
16
31
297.76
mp-1227126
7.254508
12.175209
1.687393
other
Ca2Y2Mn4O12
20
31
225.34
mp-615850
6.569275
5.379155
-4.386768
other
Pb4Se2N4O16
26
31
410.98
mp-1080609
2.509745
2.364556
1.685586
other
In2Si2C2N2
8
31
102.11
mp-758910
13.680946
7.720037
-0.872585
other
Li12Fe6Si12O36
66
31
732.68
mp-1212465
-5.882421
-3.503375
-1.801735
other
K2Ce2Ag2Te8
14
31
427.14
mp-1518112
7.029459
9.156772
-0.059401
other
K2Eu2Sn4O12
20
31
271.73
mp-555150
13.644405
4.476739
-2.574639
other
K2Ta2B4O12
20
31
280.87
mp-1203485
14.194326
5.022614
-2.211689
other
Fe12B44H4O80
140
31
1,154.95
mp-760676
14.245837
7.414706
-5.143866
other
Li2Cu4P2O8
16
31
175.88
mp-562090
4.7092
3.236444
-4.284562
other
Cu2C2Cl2O2
8
31
154.98
mp-1211113
9.07869
5.7787
-6.428881
other
Mn2P2N2O10
16
31
242.19
mp-1189282
9.027377
7.45241
-4.77076
other
K2Mg2P2O10
16
31
224.33
mp-1176749
13.167658
7.924032
-7.229127
other
Li2Fe4P4O16
26
31
281.16
mp-9309
13.550258
4.587408
-2.487607
other
Cs2Ta2B4O12
20
31
301.35
mp-1239214
-5.540433
-0.1403
-5.728788
other
Nb2Cr6Cu4S16
28
31
480.5
mp-1103527
8.721566
1.559912
0.543848
other
Ba2B2Cl2F8
14
31
242.96
mp-1104843
-5.12851
-2.867668
-4.253948
other
Zn2Cu4Si2Se8
16
31
349.09
mp-1044787
6.051105
11.686223
-1.000839
other
Pr2Zn2Ni4O12
20
31
214.74
mp-555363
12.681326
6.120564
-0.803443
other
Na12Cd6Si12O36
66
31
849.84
mp-1238877
-5.057486
-0.086061
-5.628895
other
Ti4Cr4Ag4S16
28
31
503.78
mp-1041113
7.718805
12.916568
0.867773
other
Ho2Mn4Zn2O12
20
31
213.88
mp-1520481
7.793006
8.819987
0.760423
other
Na2Eu2Hf4O12
20
31
258.72
mp-1044441
6.60275
10.545389
-0.175536
other
Pr2Mg2Cu4O12
20
31
215.92
mp-1044928
8.725577
11.72312
1.53345
other
La2Mg2Cr4O12
20
31
223.28
mp-755695
12.333611
7.715039
-1.37005
other
Li8Co4Ge4O16
32
31
359.99
mp-849393
14.213827
7.791718
-6.602254
other
Li16Fe14P16O64
110
31
1,199.79
mp-1227151
7.208129
12.182141
1.764671
other
Ca2Sm2Mn4O12
20
31
229.4
mp-1044531
7.378835
12.30595
1.53777
other
Pr2Mg2Mn4O12
20
31
222.03
mp-20161
11.744501
7.501742
-1.206269
other
Na8Co4Ge4O16
32
31
442.61
mp-1042278
6.625195
10.689684
-0.331835
other
Pr2Zn2Cu4O12
20
31
215.32
mp-1247338
-4.849234
-0.46574
-5.660055
other
Hf4Cr4Ag4S16
28
31
538.17
mp-759238
13.445524
7.39495
-0.848219
other
Li12Mn6Si12O36
66
31
750.67
mp-1213845
-5.276354
-2.557606
-4.107345
other
Co2Cu4Ge2Se8
16
31
348.11
mp-1210646
-4.801223
-2.831955
-4.062648
other
Mn2Si2Ag4Se8
16
31
406.13
mp-1188827
-5.156034
-2.936568
-4.199116
other
Mg2Cu4Si2Se8
16
31
360.25
mp-608031
8.927745
3.639842
-6.99433
other
Na2Np2C2O10
16
31
238.88
mp-1189636
2.911641
-0.623372
-1.753725
other
Nd2Mg2Ni8H8
20
31
202.52
mp-1194559
3.854227
3.590742
-3.908606
other
Co4Br6N14O4
28
31
573.17
mp-1220906
9.952817
11.18849
3.215909
other
Na2Tb2Ti4O12
20
31
226.69
mp-1210804
-3.867237
-1.450856
-5.867035
other
Li4Zn2Ge2S8
16
31
328.25
mp-1044460
8.572108
8.693797
0.464094
other
Ca2Pr2Bi4O12
20
31
315.86
mp-40630
7.189307
12.149046
1.790126
other
Ca2Pr2Mn4O12
20
31
231.62
mp-1210797
12.161395
7.472641
-0.698947
other
Li4Mg2Ge2O8
16
31
171.05
mp-1302208
8.252677
10.899216
2.224468
other
Sr12Ta4Co4O28
48
31
674.24
mp-1247008
-5.444365
-0.051665
-5.770645
other
Nb2Cr6Ag4S16
28
31
502.53
mp-863407
13.720698
7.756491
-0.886556
other
Li12Fe6Si12O36
66
31
731.24
mp-1049221
8.71549
11.758369
1.288984
other
La2Zn2Cr4O12
20
31
224.68
mp-20474
-4.728647
-1.226988
-5.711495
other
Mn2Cu4Ge2S8
16
31
308.17
mp-766931
12.519073
7.09149
-1.389749
other
Li12Si12Ni6O36
66
31
703.39
mp-1218261
7.131499
12.096176
1.816237
other
Sr2Ho2Mn4O12
20
31
232.81
mp-1190224
-4.699656
-1.300271
-5.99591
other
Zn2Cu4Sn2S8
16
31
329.48
mp-1238829
-4.707998
-0.075651
-5.408581
other
Ti4Cr4Ag4S16
28
31
617.01
mp-1229229
11.329785
8.845227
0.795816
other
Ba8U16As4O66
94
31
1,601.93
mp-1179147
10.403695
4.202359
-4.525136
other
V2H20S2O20
44
31
426.48
mp-776550
11.516103
0.591907
0.670855
other
Li2Fe6O4F12
24
31
318.34
mp-1044422
8.483435
8.617126
0.082261
other
Pr2Mg2Bi4O12
20
31
303.17
mp-1221211
11.461905
10.97113
-1.347211
other
Na6W2N2O6
16
31
267.97
mp-1220792
9.945974
11.203529
3.207154
other
Na2Ho2Ti4O12
20
31
224.69
mp-1239263
-4.759597
-0.471288
-5.326719
other
Hf4Cr4Cu4S16
28
31
560.11
mp-10963
-4.707568
-2.612384
-4.131665
other
Ag4Sn2Hg2Se8
16
31
468.52
mp-1519258
12.416602
10.833246
-0.085112
other
Na2Eu2W4O12
20
31
256.48
mp-1049276
11.600654
10.724732
2.467427
other
Ho2Ti4Zn2O12
20
31
221.34
mp-766414
10.78898
8.176538
-7.470308
other
Mn2Fe6P8O32
48
31
579.92
mp-554105
-4.193898
-1.409024
-5.824254
other
Cd2Ag4Ge2S8
16
31
364.08
mp-752524
13.652522
8.221844
-0.749538
original
Li4Cr2Si2O8
16
31
172.74
mp-1224443
-6.104436
-3.40541
-1.986089
other
K6Er8Cu10Te20
44
31
1,265.85
mp-1239251
-5.139644
-0.10632
-5.473843
other
Ta2Cr6Cu4S16
28
31
542.5
mp-1224907
13.00451
8.702621
-7.187693
other
K12V12P12O62
98
31
1,390.14
mp-1221384
8.510533
13.079801
-0.963265
other
Na4Fe6Sb2O16
28
31
317.96
mp-753346
13.972359
8.652605
-0.84564
other
Li8V4Si4O16
32
31
342.33
mp-1213828
2.906464
-0.605237
-1.749327
other
Ce2Mg2Ni8H8
20
31
198.83
mp-1193403
6.793073
6.100464
-3.992938
other
Mg2As2N2O20
26
31
385.19
mp-1223419
12.090569
6.604342
-1.422428
other
K2Si10B2O26
40
31
561.07
mp-1041195
8.915379
11.712388
1.553896
other
Ca2Ho2Cr4O12
20
31
222.59
mp-849504
11.822486
12.108279
2.231022
other
Ta8Cr4N4O20
36
31
418.34
mp-650816
11.426552
8.607734
2.306053
other
La10V6S12O14
42
31
716.04
mp-1041163
5.901454
11.183837
-0.487835
other
Ho2Zn2Fe4O12
20
31
216.26
mp-1217787
7.08842
12.050519
1.864481
other
Sr2Sm2Mn4O12
20
31
237.1
mp-1044485
11.703621
10.591076
2.461125
other
Pr2Ti4Zn2O12
20
31
234.29
mp-1044426
11.608877
10.244207
2.641844
other
Ca2Pr2Ti4O12
20
31
239.38
mp-1225791
-4.295331
-1.417129
-5.127866
other
Cu6P2Se4S4
16
31
305.74