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-1228429
-5.759895
-0.78906
1.770623
other
Ba2Fe4As1P3
10
38
186.27
mp-1519692
7.70767
8.638331
-2.728003
other
Na1In1Ge4O12
18
38
205.36
mp-1523340
7.406644
8.619704
-0.648062
other
Ba1Ca1Zr4O12
18
38
288.93
mp-2217251
8.229459
9.95867
0.281897
other
Na2Mg1Cu2O4
9
38
111.81
mp-2217537
10.878717
5.429292
-3.993552
other
Mg1Co2H2O4
9
38
94
mp-1520698
5.755572
11.304705
-1.586965
other
Ca1Dy1Ni4O12
18
38
207.98
mp-1228581
10.068157
10.943096
0.942421
other
Ba4Na2W2O11
19
38
314.2
mp-1225385
-5.259637
-3.403774
5.958244
other
Dy5Sc5Si20Ir8
38
38
657.4
mp-1522565
10.613006
11.57156
3.335001
other
K1Ce1Nb4O12
18
38
252.68
mp-1519975
10.860562
11.654126
2.938304
other
Ba1Nb4Cr1O12
18
38
252.04
mp-1520622
7.929874
6.879484
-3.221516
other
K1Ga1Se4O12
18
38
213.68
mp-1520316
10.515141
11.742517
3.309847
other
K1Gd1Nb4O12
18
38
250.18
mp-1221779
-6.714033
-1.83569
1.542865
other
Mn3Co1As3Rh2
9
38
129.19
mp-1233528
14.381219
6.27406
-1.651877
other
Mg1Mn2B8O14
25
38
206.08
mp-1220804
7.804391
10.812451
0.629165
other
Na3Ho3Ir3O12
21
38
250.52
mp-1519971
10.508947
11.734628
3.344248
other
Sr1Ca1Nb4O12
18
38
252.48
mp-1176712
12.307363
11.461928
0.005423
original
Li1Fe7O7F1
16
38
197.95
mp-752466
8.648785
3.602022
-7.704988
other
Li4Mn4C6O18
32
38
346.63
mp-2227342
7.446452
9.453573
-1.780169
other
Mg1Zn2Ag4O8
15
38
209.21
mp-2226396
10.746113
10.607214
-0.605759
other
Mg1Sb1Rh1O4
7
38
92.62
mp-1523037
7.754998
9.435539
-0.681854
other
Ca1Sm1Ti4O12
18
38
229.68
mp-1222917
10.233132
8.178662
2.768981
other
La1Gd3Cl4O4
12
38
219.83
mp-1520926
7.389116
8.643285
-0.484267
other
Ba1Eu1Zr4O12
18
38
283.7
mp-1201854
10.117614
6.007961
-3.297381
other
Tl4Cu3B18O44
69
38
1,202.14
mp-1519587
6.727343
12.546531
-1.250317
other
Na1Eu1Mn4O12
18
38
209.06
mp-1523345
7.921062
9.615754
-0.026704
other
Nd1Sm1Ti4O12
18
38
230.69
mp-1219347
10.070564
7.829759
-1.71721
other
Si1Pb7Cl2O8
18
38
374.67
mp-1218881
12.72575
12.903605
-0.982638
other
Sr2Al1V11O22
36
38
400.16
mp-1218489
6.144607
11.085731
0.702998
other
Sr3Y1Co2O8
14
38
180.66
mp-1228155
-3.629617
-1.586108
-5.158176
other
Ba4Co1Ni3S8
16
38
353.88
mp-1226510
-8.440387
-4.872192
3.979615
original
Ce1Y2Al3Pd3
9
38
182.18
mp-2218866
8.364848
10.693351
-3.283604
other
Mg1Cr2Cd2O8
13
38
181.14
mp-1520145
6.370241
11.921609
-1.227472
other
Na1La1Mn4O12
18
38
220.04
mp-2219449
6.639047
10.05765
-2.194002
other
Na2Mg1Mn2O8
13
38
184.83
mp-2217636
8.177274
8.923349
-0.981487
other
Mg1Ag2Bi2O6
11
38
188.83
mp-1272748
11.862007
10.957105
0.5796
other
Sr4V2Mo2O12
20
38
257.87
mp-1523240
6.519541
12.151521
-1.215178
other
Li1La1Mn4O12
18
38
211.89
mp-1518473
7.749838
10.711284
-3.013947
other
Na1Eu1Cr4O12
18
38
211.02
mp-1218481
6.726019
11.98902
1.62798
other
Sr3Pr1Mn4O12
20
38
235.1
mp-1517934
12.09907
11.233836
-1.574862
other
K1Eu1W4O12
18
38
244.42
mp-1522197
5.692924
11.184801
-1.709072
other
Na1La1Ni4O12
18
38
220.81
mp-1516511
9.398121
10.879247
1.064651
other
Na1Li1Nb4O12
18
38
238.52
mp-2224755
12.855726
9.31465
0.472668
other
Mg1Ti2Ga4O10
17
38
197.28
mp-2219002
13.618464
8.127632
-0.786515
other
Mg1Ti2Si2O8
13
38
171.9
mp-2232352
8.535777
10.740254
-3.032077
other
Na4Mg1Cr2O8
15
38
216.07
mp-2227391
10.07944
11.850065
-2.179729
other
Mg1Cr2Fe2O8
13
38
175.16
mp-1518088
7.763077
8.704143
-0.323382
other
Ba1Hf4Sn1O12
18
38
268.36
mp-1516882
7.27981
8.637889
-1.332081
other
K1Zr4Bi1O12
18
38
277.43
mp-1227466
-4.424827
-2.05255
-3.772932
other
Ba2V2Se4S2
10
38
249.68
mp-1520250
5.865833
11.023644
-1.691489
other
K1Pr1Ni4O12
18
38
231.74
mp-1223847
1.330261
2.616116
-5.691389
other
K2Pd1Br1Cl3
7
38
225.89
mp-2218183
12.49365
10.904398
2.085903
other
Mg1Nb3O7F1
12
38
146.93
mp-1519570
7.653877
8.796082
-0.232314
other
Sr1Zr4Sn1O12
18
38
274.04
mp-1221997
11.269192
12.609079
1.751488
other
Mg2Ti8Fe2O20
32
38
378.3
mp-1217993
10.719013
11.090817
-2.609205
other
Ta1Bi1W2O10
14
38
196.93
mp-2222920
8.875028
9.587125
1.425672
other
Sr2Mg1Cu2O4
9
38
133.19
mp-8084
10.947031
11.938596
2.738255
other
Na1Nb6O15F1
23
38
310.82
mp-1516719
7.463387
8.652698
-0.421088
other
Sr1Eu1Zr4O12
18
38
285.02
mp-1522445
10.772223
11.843053
2.919518
other
K1Nb4In1O12
18
38
243.98
mp-1516714
7.579392
9.259183
-1.171077
other
K1La1Ti4O12
18
38
238.37
mp-1519860
7.805688
8.639967
-2.727239
other
K1In1Ge4O12
18
38
211.43
mp-1220648
-4.105023
-0.064451
-3.980165
other
Nb3Ag2Te1S6
12
38
240.76
mp-1519508
7.819631
11.079928
-2.63652
other
Sr1Dy1Cr4O12
18
38
212.53
mp-1645141
8.034174
10.831902
2.125942
other
Sr12Ti6Fe2O28
48
38
633.09
mp-1518750
6.815865
7.949997
-2.405714
other
Na1Eu1Fe4O12
18
38
473.65
mp-1220292
-5.184701
-3.230097
5.813315
other
Nd2Mn2Cu1Si3
8
38
148.01
mp-2224718
12.350731
8.510273
-0.08092
other
Mg1Al4Cr2O10
17
38
173.26
mp-1516293
7.059637
8.929179
-1.735625
other
Ca1Eu1Sn4O12
18
38
263.12
mp-2217266
9.966929
10.886052
0.181882
other
Rb2Mg1Fe2O4
9
38
175.64
mp-1516593
12.311523
11.088702
-1.118453
other
Sr1Eu1W4O12
18
38
252.55
mp-1522433
7.877578
11.283692
-2.584401
other
Eu1Dy1Cr4O12
18
38
201.59
mp-1519680
7.562954
9.253778
-1.247483
other
Na1La1Ti4O12
18
38
233.76
mp-775429
6.106338
8.670478
-0.245632
other
Ba4Li1Bi3O11
19
38
330.96
mp-2219689
12.276874
7.449735
-7.116717
other
Mg1Ni2P2O8
13
38
139.51
mp-2219069
10.175014
11.444322
-1.46594
other
Mg1Sc2Cr2O8
13
38
166.17
mp-1220823
9.265779
8.09822
-0.603695
other
Na1Bi3I2O4
10
38
220.07
mp-2232707
12.147725
12.545432
-2.271714
other
Mg1V4Zn1O10
16
38
229.17
mp-2219218
7.884038
10.171773
-3.649216
other
Mg1Cr2Ag2O8
13
38
189.06
mp-1102642
2.206368
2.38737
-3.543271
other
Cd2C2Br6N2
12
36
350.39
mp-1228385
8.089149
13.966675
-1.018099
other
Ba2Mn6Fe6O22
36
36
410.27
mp-1188304
-4.603952
-3.460964
-3.766936
other
Ba4Sm2In2Se10
18
36
563.07
mp-1244594
-2.514275
-2.894945
-5.494325
other
La8Mn2S12O2
24
36
530.91
mp-557070
11.804228
7.212895
-3.564707
other
Ca4Bi2As2O12
20
36
307.03
mp-731978
0.492222
1.801108
-4.124168
other
K2Hg2Br6O2
12
36
410.24
mp-1218030
9.810245
8.464908
3.3108
other
Sr2Pr2Sc2O8
14
36
209.56
mp-1227147
6.980933
11.130977
1.430732
other
Ca2Sm2Co2O8
14
36
173.46
mp-23089
10.726766
10.140164
1.840045
other
Sr2Ta4Bi4O18
28
36
383.39
mp-761106
10.289399
13.636822
-0.68442
other
Li6V2Fe4O12
24
36
239.32
mp-1215739
-3.667899
-1.921757
-5.617682
other
Yb2Cu2Pb2S6
12
36
264.55
mp-1219043
-1.107737
2.661655
-3.131592
other
Sn4Sb2Se4I6
16
36
620.61
mp-1224513
-0.605498
2.507886
-3.273892
other
K4Pt2I10O4
20
36
732.27
mp-1205397
-4.587478
-3.443758
-3.785002
other
Ba4Y2In2Se10
18
36
559.47
mp-1195679
12.890096
6.261977
-0.501247
other
Cs4Th2Si12O30
48
36
825.85
mp-760331
9.40709
12.285197
0.017341
other
Li16Co2O8F4
30
36
298.2
mp-1189339
-4.48054
-3.212335
-3.771761
other
Ba4In2Sb2Se10
18
36
564
mp-1225327
-3.457572
-2.013357
-5.888703
other
Dy2Cu2Pb2S6
12
36
262.77
mp-1236949
2.742849
3.000361
-4.201807
other
Mo4N10Cl18O2
34
36
1,077.17
mp-1222792
5.940723
2.286375
-3.365535
other
Li2C12N18Cl2
34
36
427.08
mp-554548
10.381155
9.031525
-3.563372
other
Ba2Mo4Se4O22
32
36
523.53
mp-554381
10.934177
11.393552
-2.376236
other
Ca4V2Bi2O12
20
36
305.34