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-1197916
13.566388
4.856091
-1.805238
other
Sr8Ga8B8O32
56
18
848.68
mp-758937
11.289682
7.957164
-7.858344
other
Li12Mn8P12O48
80
18
937.73
mp-1182466
4.56881
2.816661
-3.573317
other
Bi2C16N8Cl14
40
18
1,363.38
mp-1203936
4.628376
2.814638
-3.598425
other
Er2C16N8Cl14
40
18
1,052.31
mp-697408
9.223223
2.291164
-4.632957
other
H20C4N4O10
38
18
318.23
mp-1181658
4.617253
2.800659
-3.589995
other
Ho2C16N8Cl14
40
18
1,123.08
mp-1220146
-6.343515
-3.8551
0.021498
other
Ni16Bi16S2I4
38
18
905.55
mp-554554
-2.568807
-0.647091
-5.358902
other
K18Bi2P8S32
60
18
1,657.51
mp-679997
13.691916
4.287915
-2.400762
other
Cs4Ag8B60O96
168
18
2,095.29
mp-1228625
10.002233
6.924251
-2.836338
other
Ba2Al4Si6O28
40
18
634.11
mp-1212058
5.7357
4.942039
-4.195481
other
La2N2Cl8O8
20
18
455.4
mp-554356
14.624433
5.675329
-6.861977
other
Na8Nb18P12O78
116
18
1,634.75
mp-1217948
11.366685
11.77818
2.186326
other
Ta4Mn4Nb4O24
36
18
440.68
mp-1215761
7.993271
9.242835
-0.945306
other
Yb4Ti8O20F4
36
18
422.48
mp-725922
4.74816
3.471832
-3.941026
other
Cd2C4N8O8
22
18
614.07
mp-759282
11.479327
7.720174
-7.791682
other
Li12Fe8P12O48
80
18
932.76
mp-1212506
5.411541
4.18268
-4.317109
other
H2C4N4O8
18
18
428.37
mp-1221858
11.486867
11.963942
1.975182
other
Mn2Nb8Fe2O24
36
18
439.49
mp-773843
13.544989
6.021992
-7.584999
other
Li4Ti8P12O48
72
18
905.4
mp-850532
13.071861
5.866148
-7.235641
other
Li4Sn8P12O48
72
18
960.25
mp-1205457
9.40396
6.180428
-3.928707
other
Rb4H12Se8O24
48
18
808.7
mp-1209513
5.587967
5.170346
-3.976531
other
Rb2Nd2Cl8O8
20
18
529.3
mp-1575286
14.474115
7.49799
-6.102295
other
Li4Fe2P4O14
24
18
312.87
mp-1217947
11.173996
11.757576
2.656641
other
Ta4Nb4Ag8O24
40
18
506.1
mp-554129
7.960565
3.007322
-1.395986
other
Br12N4O16F40
72
18
1,202.5
mp-1199543
5.854334
3.735241
-4.004007
other
Tc4C16N4O16
40
18
833.82
mp-558830
11.261442
9.898626
-2.979055
other
Zn2Te2Mo2O12
18
18
251.36
mp-1020615
13.714828
5.490723
-6.847404
other
Y4Si2P8O30
44
18
656.74
mp-1201967
4.632081
2.804662
-3.584859
other
Tm2C16N8Cl14
40
18
1,160.09
mp-19090
11.548592
10.067906
-2.660582
other
Mn2Te2Mo2O12
18
18
261.98
mp-1237438
6.697133
3.657025
-3.828591
other
Tc4C16N4O16
40
18
661.72
mp-759945
10.5216
1.175289
1.790344
other
Li8Mn16O4F32
60
18
753.96
mp-504885
13.573662
6.839001
-0.833058
other
Ba2Fe2Si8O20
32
18
451.96
mp-1203153
8.267759
6.845069
-5.050927
other
Rb8P2S6O32
48
18
885.25
mp-726294
10.907618
9.026237
-6.795388
other
Li4V4P4O22
34
18
496.39
mp-1224447
7.515134
1.163582
-4.395807
other
H8C4Br4Cl4
20
18
435.08
mp-1197329
4.572107
2.820153
-3.610294
other
Mo2C16N8Cl14
40
18
1,019.67
mp-1210505
8.381912
3.844404
-6.542386
other
Na4H2C4O8
18
18
227.73
mp-1195599
5.378989
-0.400343
-3.030136
other
Cs2Sr2B6H24
34
18
437.57
mp-554071
-3.519386
-1.054743
-5.483861
other
Na16Nb4Cu8S42
70
18
1,616
mp-1209501
5.593112
5.126338
-4.007706
other
Rb2Pr2Cl8O8
20
18
504.91
mp-765596
10.106774
12.70281
-4.139622
other
Li4V8O20F4
36
18
395.4
mp-1179090
6.117408
3.842898
-3.988597
other
Tc4C16N4O16
40
18
703.57
mp-1211675
5.659816
5.219827
-3.963617
other
K2Nd2Cl8O8
20
18
506.23
mp-759065
14.666181
8.507751
-6.626221
other
Li12V8P12O48
80
18
945.14
mp-1209448
5.65133
5.102171
-3.953299
other
Rb2Ce2Cl8O8
20
18
489.32
mp-1189250
5.58036
5.207267
-3.99736
other
Cs2Nd2Cl8O8
20
18
573.1
mp-569547
1.974786
1.947155
1.19495
other
Sr12Fe2C4N14
32
18
572.31
mp-1211792
3.316272
3.622985
-4.018919
other
K2Ce2Cl8O8
20
18
447.98
mp-1193058
4.860442
2.92232
-3.603864
other
K2Sb2C12Br10
26
18
747.89
mp-775185
13.725071
8.429995
-0.986585
other
Li12V12Si12O48
84
181
1,253.37
mp-762623
11.594354
7.281941
-2.366073
other
Li6Fe6Si6O24
42
181
609.4
mp-753492
13.738529
8.425141
-0.986821
other
Li6V6Si6O24
42
181
632.82
mp-759364
9.986826
7.777978
-3.019402
other
Li12Co12Si12O48
84
181
1,185.24
mp-759281
11.603427
7.284078
-2.35008
other
Li12Fe12Si12O48
84
181
1,212.74
mp-863381
12.525331
7.568047
-7.456937
other
Li12Co12P12O48
84
181
1,197.42
mp-759334
11.65289
7.377309
-7.321859
other
Li12Cu12P12O48
84
181
1,190.3
mp-757239
14.196793
7.328586
-7.101698
other
Li12Mn12P12O48
84
181
1,291.67
mp-758825
11.646034
7.259315
-2.315044
other
Li12Fe12Si12O48
84
181
1,223.5
mp-765347
12.300988
7.640889
-7.440167
other
Li12Co12P12O48
84
181
1,156.78
mp-753125
10.017759
7.760324
-3.003063
other
Li6Co6Si6O24
42
181
598.11
mp-850962
9.626284
7.69391
-2.862616
other
Li6Fe12Si12O48
78
181
1,220.74
mp-728418
8.005013
4.022634
-6.213237
other
Zr3Cd3C24O48
78
181
1,743.33
mp-570037
4.132318
2.368036
-3.262712
other
Co6Au12C24N24
66
181
1,311.76
mp-762644
11.675751
7.232137
-2.299281
other
Li6Fe6Si6O24
42
181
615
mp-863390
12.570251
7.607955
-7.458824
other
Li12Co12P12O48
84
181
1,182.42
mp-758886
11.430588
7.507627
-7.331761
other
Li12Cu12P12O48
84
181
1,129.98
mp-6326
12.768036
6.361411
-0.521059
other
Li12Al12Si12O48
84
181
1,066.83
mp-772146
14.553761
7.778144
-5.479376
other
Li12Fe12P12O48
84
181
1,248.3
mp-6327
12.762403
6.375888
-0.491076
other
Li3Al3Si3O12
21
181
277.68
mp-542891
4.087351
2.326194
-3.189761
other
Zn6Au12C24N24
66
181
1,351.74
mp-8315
9.276233
1.603578
1.825383
other
Li2Sm2Al2F12
18
182
233.19
mp-1215032
7.673332
7.829603
-4.08655
other
Ag6Te2P4O28
40
182
544.2
mp-616564
7.228091
7.997532
-3.233875
other
Rb2Pb2I2O12
18
182
332.8
mp-1204674
9.640453
10.638584
-1.445954
other
Ni18Te10Pb12O60
100
182
1,294.15
mp-554199
7.848193
7.247855
-3.277863
other
Rb2Sn2I2O12
18
182
319.84
mp-1197998
7.529069
8.086739
-3.762077
other
Na6Te2P4O28
40
182
627.16
mp-1203045
9.580843
11.363106
-1.359782
other
Co18Te10Pb12O60
100
182
1,331.8
mp-1216985
-6.856241
-1.159797
4.695278
other
Tm2Mn12Ga1Ge11
26
183
376.96
mp-1216795
-6.902779
-1.180881
4.733767
other
Tm1Mn6Ga1Ge5
13
183
189.16
mp-1224458
-6.880546
-1.153077
4.717434
other
Ho2Mn12Ga1Ge11
26
183
376.03
mp-1225598
-7.477104
-1.98129
2.539366
other
Er1Mn3Fe3Sn6
13
183
232.65
mp-1222359
-6.896937
-1.146038
4.700486
other
Lu1Mn6Ga1Ge5
13
183
187.04
mp-562027
12.717353
6.648665
-1.094365
other
Ba6Co6Si6O24
42
173
648.3
mp-41472
13.223598
5.334621
-6.053993
other
Ca10P6H2O26
44
173
524.9
mp-1191233
-2.849411
-2.601986
-5.720653
other
Sm6Al2Fe2S14
24
173
518.02
mp-17155
-4.324643
-3.900852
-3.760419
other
La6Ag2Sn2Se14
24
173
654.19
mp-1190927
-2.74773
-2.636982
-5.73321
other
Pr6In2Fe2S14
24
173
563.95
mp-690977
12.315754
6.418707
-5.083662
other
Na2P6Pb8O24
40
173
618.01
mp-1224647
11.912065
6.982332
0.683217
other
La6Nd22Si18O78
124
173
1,730.42
mp-758257
11.667917
7.305497
-2.085848
other
Li6Fe6Si6O24
42
173
554.45
mp-1180076
6.134317
3.407203
-3.47924
other
Ni2C8N2Cl6
18
173
361.38
mp-1192184
-2.864191
-2.521752
-5.664844
other
Dy6Ga2Fe2S14
24
173
481.29
mp-1192038
-2.73715
-2.521349
-5.759828
other
La6Be2In2S14
24
173
559.33
mp-1208633
13.278967
5.403209
-6.276822
other
Sr2Li2P2O8
14
173
188.93
mp-1227603
11.858946
6.905329
-3.962465
other
Ca10As6H2O26
44
173
597.57
mp-1192206
-2.86145
-2.565692
-5.347485
other
Ce6Be2Cr2S14
24
173
498.78
mp-1192356
-2.727544
-2.543627
-5.784954
other
La6Be2Cr2S14
24
173
535.19
mp-1191831
-2.830825
-2.556985
-5.82336
other
Nd6Ga2Ni2S14
24
173
523.14
mp-554097
-3.031541
-2.440904
-5.889695
other
Sm6Cu2Si2S14
24
173
508