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-768585
10.834749
11.514367
3.18988
other
Ho2Ta6O18
26
11
320.08
mp-1209441
-1.221008
2.955807
-2.794627
other
Rb4Mn2I8
14
11
644.66
mp-1229208
-4.74965
-3.07894
-3.525301
other
Cs4Bi8Se14
26
11
882.77
mp-540145
10.234736
7.839897
-6.638519
other
Fe2P10O30
42
11
635.29
mp-27855
7.52973
1.45056
-4.174284
other
H6I6N4
16
11
357.58
mp-1106254
-2.64425
-2.781019
-5.571179
other
La2Lu6S12
20
11
455.12
mp-1190554
3.266159
-0.771396
-2.172086
other
Ba2Re2H18
22
11
200.63
mp-1207018
-5.17909
-2.555707
5.858187
other
Tb2Fe2Si4
8
11
129.52
mp-1189406
-5.424145
-2.224387
-1.280368
other
Nb6Ag2Te8
16
11
388.1
mp-1041498
9.084537
2.547252
0.691648
other
Al2Mo6F30
38
11
589.64
mp-1194415
6.647012
9.738029
-2.254797
other
K6Mn4O16
26
11
432.88
mp-755179
10.372582
1.869657
2.201108
other
Li2Fe2F6
10
11
122.94
mp-1246896
0.520362
2.482717
1.98058
other
Mn6Al2N6
14
11
152.4
mp-13282
-4.144303
-4.329353
-3.683639
other
Sm2Er6Se12
20
11
521.2
mp-758875
11.807151
13.230318
-0.526681
other
Cr8O8F8
24
11
279.41
mp-1211070
8.723025
6.177698
-6.421826
other
Mn10S6O30
46
11
611.19
mp-571061
-3.933402
-0.535295
-3.168554
other
Nb12Se40Cl12
64
11
1,758.6
mp-530984
12.511045
7.563386
0.580844
other
Al44Pb2O68
114
11
1,266.21
mp-674849
8.388873
1.701569
0.980519
other
Tl2Bi2F8
12
11
193.23
mp-998413
-0.496226
1.493454
-4.589413
other
Cs2Se2Br6
10
11
427.34
mp-1025521
-5.426636
-3.095299
5.809275
other
Ce2Si4Ru2
8
11
147.94
mp-1025494
7.379666
8.566453
-1.897761
other
Eu2Cl2O4
8
11
140.99
mp-1041859
9.105075
1.251869
-0.511432
other
Al2Fe6F30
38
11
583.26
mp-505132
-5.728508
-2.350672
-1.515332
other
Ta6Te28Pd6
40
11
1,152.34
mp-755350
-1.226617
1.868193
-1.619901
other
Ba2La2I10
14
11
678.12
mp-1232482
-6.101427
-5.71068
0.72075
other
Ca2Mn2Bi4
8
11
226.18
mp-550781
6.450105
13.330958
-1.456494
other
Sr4Co4O12
20
11
262.6
mp-1210358
11.570131
10.907573
-3.363693
other
Na2Mo12O34
48
11
691.32
mp-1208832
-4.153647
-4.319815
-3.706968
original
Sm4Lu4Se12
20
11
521.8
mp-997013
6.491257
5.736368
-4.010588
other
Ag2Cl2O4
8
11
146.37
mp-1211832
-1.187814
2.80971
-2.702469
other
K4Mn2I8
14
11
602.01
mp-561551
12.352352
6.580461
0.303898
other
Y4Si4O14
22
11
291.97
mp-1224244
-4.70275
-3.038836
-3.50717
other
K4Bi16Se26
46
11
1,420.96
mp-996968
9.457179
8.709727
-0.731765
other
Ag2Bi2O4
8
11
150.52
mp-644332
9.328862
0.940346
1.449814
other
K4Mn4F12
20
11
310.38
mp-1147671
-2.873646
-0.809752
-5.197978
other
Cu12S12Cl12
36
11
810.94
mp-1639105
5.708858
11.110991
-1.787937
other
Cd4Fe4O12
20
11
225.93
mp-763021
7.512628
7.677071
-1.679098
other
Fe8O10F6
24
11
271.35
mp-761454
11.979918
11.218826
-2.054911
other
Sn2W6O18
26
11
387.07
mp-1191214
9.202287
10.5604
-3.102297
other
Y2W4O18
24
11
348.8
mp-625055
12.39101
5.606737
-1.893073
other
Al2H2O4
8
11
68.22
mp-1213803
3.878354
-0.0412
-2.488223
other
Co2H12Br4
18
11
322.4
mp-1211293
-2.693791
-2.700889
-5.513118
other
La2Y6S12
20
11
482.13
mp-560587
10.474281
9.244764
-0.630658
other
Rb8Sb32O52
92
11
1,917.58
mp-1182459
8.278125
10.759027
-3.101518
other
Ca10Cr6O26
42
11
596.24
mp-28397
-4.58196
-3.272614
-3.56567
other
Sr8Bi12Se26
46
11
1,383.14
mp-1246047
4.801211
2.687284
-3.407857
other
Te2C2N4
8
11
140.31
mp-757238
11.71284
7.203874
-3.944839
other
Gd2As2O8
12
11
168.07
mp-1188687
-3.326941
-3.934512
0.460474
other
Ba4P14I2
20
11
549.39
mp-734295
7.049723
5.904598
-3.580582
other
Ba2Pt2O14
18
11
259.75
mp-29376
-3.681715
-1.765692
-5.55461
other
Na10In2S8
20
11
462.25
mp-1189314
7.619576
8.73196
-3.877083
other
Th2Cr2O14
18
11
323.66
mp-1199411
-8.236682
-5.266388
6.131249
other
La18Ga12Ru12
42
11
994.11
mp-558581
11.816202
8.854367
-5.677827
other
P8W8O44
60
11
815.7
mp-726717
8.772056
8.416039
-4.47856
other
Mo2P2O14
18
11
320.42
mp-1407206
5.163373
-0.399232
-2.830014
other
Li2B2H8
12
11
84.2
mp-2468815
-5.593874
-0.648361
-4.331708
other
Li2Co2S4
8
11
119.42
mp-651814
10.054671
12.319789
-4.032884
other
Cs2V6O16
24
11
353.59
mp-1047586
8.624133
1.742631
0.158778
other
Y2Sn6F30
38
11
607.66
mp-1219787
-4.744455
-3.070217
-3.495367
other
Rb4Bi8Se14
26
11
847.68
mp-776205
1.806473
1.800587
2.821379
other
Hf4N4O2
10
11
125.48
mp-1195056
6.293087
11.526144
0.140033
other
Ca16Co16O40
72
11
895.56
mp-1254498
8.923651
1.56312
-0.851481
other
Al2Ni6F30
38
11
570.7
mp-23022
6.661559
5.789376
-3.411612
other
K2Cl2O6
10
11
185.03
mp-1041829
8.961879
1.528998
-0.810676
other
Al2Co6F30
38
11
553.87
mp-1188730
-2.660043
-2.759876
-5.554547
other
Pr2Ho6S12
20
11
470.38
mp-1079548
7.495266
8.543196
-2.600515
other
Y2Cl2O4
8
11
136.69
mp-1348382
10.463945
9.885872
-0.148493
other
Zn4Sb4O12
20
11
246.05
mp-530347
7.606737
11.923901
2.11218
other
La22Mn24O72
118
11
1,464.94
mp-1246818
1.647387
1.798167
1.175364
other
Sr40Cd8N32
80
11
1,972.31
mp-1193126
8.553599
9.667592
-3.718993
other
Bi2Mo4O20
26
11
370.58
mp-541836
-2.709601
-2.815815
-5.19259
other
Ce8Tm8S24
40
11
911.78
mp-14447
-4.361835
-3.301418
-3.795704
other
Ba4Si2Se8
14
11
436.32
mp-568987
3.420484
-0.661605
-2.418319
other
Na4Be2H8
14
11
162.41
mp-770380
11.044596
11.854031
2.868127
other
Ta6In2O18
26
11
325.62
mp-1105024
-8.657999
1.543769
-3.322339
other
Tl2Te6Mo6
14
11
379.88
mp-19172
9.972675
12.263583
-4.051922
other
K2V6O16
24
11
318.63
mp-625465
11.421312
4.197574
-3.456847
other
Tm2H6O6
14
11
120.82
mp-625477
10.262055
4.466368
-4.090938
other
Eu2H6O6
14
11
137.51
mp-25270
10.717247
8.082191
-7.111308
other
Co4P6O20
30
11
337.12
mp-1198915
7.300159
7.76675
-3.881217
other
Fe4S6O34
44
11
700.44
mp-29855
10.067462
12.155903
-4.077702
other
La2V6O18
26
11
361.8
mp-554576
8.512787
1.054376
1.03814
other
Rb8In12F44
64
11
1,019.98
mp-31233
-5.955743
-2.023711
1.333273
other
Ca8P14Ir16
38
11
642.85
mp-1191223
-3.597689
-1.445206
-5.196292
other
Sn2Sb8S14
24
11
633.55
mp-9698
-4.805906
-6.173235
0.6396
other
Rb12Al2Sb6
20
11
825.11
mp-766135
6.021303
8.55447
-0.115022
other
Sr12Bi4O22
38
11
655
mp-1041775
9.775517
0.870851
-0.173424
other
Y2Mn6F30
38
11
626.31
mp-626173
12.132399
6.169023
-0.229052
other
Ho2H2O4
8
11
86.13
mp-570779
-1.024855
1.104321
-1.637852
other
Pr6Os2I6
14
11
515.17
mp-1047530
8.588936
1.653296
0.702268
other
Y2Ti6F30
38
11
615.2
mp-504210
12.659797
7.988914
-6.329472
other
Mo2P10O30
42
11
585.11
mp-28747
-0.915251
1.035389
-1.729204
other
Y6Ru2I6
14
11
456.96
mp-1246027
1.454505
1.912471
1.393824
other
Sr32Co16N32
80
11
1,592.08
mp-571260
-1.180072
2.57922
-3.001208
other
Al4In4I16
24
11
1,052.19
mp-24341
3.348234
-0.597394
-2.63661
other
Cs2Be2H6
10
11
221.48
mp-1180878
7.111559
8.881756
-1.309892
other
La14I6O36
56
11
964.18
mp-1101379
12.189668
6.086449
-0.285311
other
Sc2H2O4
8
11
73.46
mp-29088
1.795533
1.91666
1.117818
other
Sr6Ge4N4
14
11
313.74
mp-1205141
-6.433006
-2.496448
1.543203
other
Eu8As14Ir16
38
11
726.55