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-776279
10.772929
12.737653
-3.61222
other
Li9V19O48
76
1
902.14
mp-763655
8.440758
14.803226
-1.253642
other
Li4Mn12O24
40
1
440.27
mp-532477
11.802691
9.992568
2.504611
other
Nd18Ti20O60
98
1
1,213.34
mp-685526
-3.047411
-2.40585
-5.366868
other
Ca28Yb15S48
91
1
2,209.8
mp-1203435
-3.82291
1.618639
3.018636
other
Dy8Ni2B26
36
128
369.81
mp-760811
9.602612
0.544021
-0.396881
other
Li10Cu6F28
44
128
467.66
mp-505335
-5.400797
-2.274871
5.702811
other
Ho8Mn12Si20
40
128
609.81
mp-776438
9.660943
1.863565
0.651045
other
Li4V2F12
18
128
247.61
mp-1202708
-3.698767
1.711063
3.004983
other
Yb8Ni2B26
36
128
366.53
mp-725945
1.551037
2.297796
-3.470186
other
Ta4Br20N8
32
128
1,122.65
mp-1196816
8.412374
0.953749
1.114367
other
K10In6F28
44
128
738.59
mp-1198337
-5.320323
-2.091289
5.67168
other
Yb8Fe12Si20
40
128
593.32
mp-1214887
-7.893359
-3.842293
5.360931
other
Al28Cu8Rh4
40
128
597.23
mp-616218
-1.177485
2.789802
-3.028101
other
Cd2In8I12
22
128
838.96
mp-1197241
-3.709003
1.650866
2.943464
other
Gd8Ni2B26
36
128
377.86
mp-4689
-7.274105
-2.595478
6.380486
other
Al28Fe4Cu8
40
128
573.56
mp-505330
-5.436107
-2.275575
5.642819
other
Tm8Mn12Si20
40
128
599.26
mp-1120736
9.037237
1.834651
1.572713
other
Na10Ti6F28
44
128
608.85
mp-27375
-1.165004
2.928198
-3.02123
other
Tl8Hg2I12
22
128
879.65
mp-1208181
-1.098284
2.778847
-3.155344
other
Tl4Pt2I12
18
128
679.42
mp-1106338
-5.14525
-0.269349
3.149722
other
Nb8B8Os4
20
128
242.51
mp-17856
-7.684893
-3.634159
5.621839
other
Al28Co4Cu8
40
128
569.94
mp-28518
-0.088839
1.64287
-4.624192
other
Tl12S2Br8
22
128
776.47
mp-1203732
-5.482071
-2.248498
5.68293
other
Lu8Mn12Si20
40
128
591.65
mp-1202173
-3.837687
1.637587
3.0119
other
Ho8Ni2B26
36
128
366.63
mp-1198764
-5.403586
-2.146662
5.04518
other
Gd8Re12Si20
40
128
673.77
mp-1209282
8.202919
0.837715
1.783188
other
Rb6Sc2F12
20
128
383.84
mp-21564
9.331503
2.023403
1.47482
other
K10V6F28
44
128
723.07
mp-610738
-0.553466
1.032687
-4.04964
other
Zr2In4Br12
18
128
591.26
mp-541557
-5.469166
-2.004075
5.540729
other
Lu8Fe12Si20
40
128
560.41
mp-1208995
8.350573
1.244801
1.632622
other
Sc2Tl6F12
20
128
378.02
mp-1200246
-5.300676
-2.118919
5.67692
other
Sm8Fe12Si20
40
128
610.46
mp-1198624
-3.719887
1.648874
2.965595
other
Gd8Co2B26
36
128
380.96
mp-754648
10.195982
0.371421
-0.090726
other
Li4Mn2F12
18
128
229.58
mp-1203068
-3.823186
1.664678
3.01083
other
Tm8Ni2B26
36
128
356.21
mp-22401
-5.37356
-2.191467
5.138575
other
Nd8Re12Si20
40
128
691.93
mp-1214751
8.165762
0.759891
1.830719
other
Cs6Sc2F12
20
128
439.04
mp-570339
-1.191678
3.012124
-2.981739
other
Tl8Cd2I12
22
128
881.36
mp-622190
-5.441434
-2.260607
5.69939
other
Er8Mn12Si20
40
128
604.51
mp-22573
-3.791221
1.661652
3.014864
other
Tb8Co2B26
36
128
374
mp-27938
-0.834641
2.988308
-3.100349
other
Tl12S2I8
22
128
857.38
mp-570173
1.496525
2.493693
-5.566597
other
K4Sn2Cl12
18
128
505.02
mp-28070
-1.20674
3.066681
-2.941785
other
Rb4Te2I12
18
128
806.88
mp-1209638
8.140972
2.354841
-1.030578
other
Sc6N10F28
44
128
711.04
mp-1203495
-5.399922
-2.201122
5.067738
other
Tb8Re12Si20
40
128
663.73
mp-8447
8.919488
1.839128
1.546077
other
K10Ti6F28
44
128
689.33
mp-1195855
-5.403205
-2.238845
5.081315
other
Y8Re12Si20
40
128
662.18
mp-568405
1.355743
2.35132
-5.108022
other
K4Nb2Cl12
18
128
498.05
mp-28247
-1.136092
2.901029
-2.992772
other
K4Pt2I12
18
128
699.95
mp-1203891
2.564039
2.947529
-4.176443
other
Nb4N8Cl20
32
128
941.02
mp-1202802
-3.761583
1.636561
2.995389
other
Tb8Ni2B26
36
128
377.14
mp-1192675
2.376332
2.643119
-3.832467
other
Hg2Br12N8
22
128
841.28
mp-1199927
11.352832
6.703547
-0.670466
other
Ba10Si8O28
46
128
730.05
mp-1211731
8.445231
1.09691
1.86704
other
K10Sc6F28
44
128
716.26
mp-1202869
-3.859293
1.667291
3.037041
other
Er8Co2B26
36
128
362.37
mp-1214866
-7.630117
-3.271714
5.740569
other
Al28Cu8Ru4
40
128
602.68
mp-1198710
-5.369214
-2.22325
5.149236
other
Pr8Re12Si20
40
128
699.76
mp-1200891
-3.826738
1.680072
3.016104
other
Lu8Ni2B26
36
128
352.08
mp-23411
-0.56839
1.21821
-4.311555
other
K4Te2Br12
18
128
619.34
mp-1197667
-5.558378
-2.283181
5.104616
other
Ce8Re12Si20
40
128
676.71
mp-707190
-0.442374
1.124685
-4.438559
other
K4Sn2Br12
18
128
600.19
mp-1188960
0.308266
1.982601
-3.555563
other
Tc2I12O4
18
128
542.43
mp-4752
9.13211
0.907108
1.371707
other
Na10Al6F28
44
128
495.29
mp-504861
-3.834312
1.619622
3.03724
other
Y8Co2B26
36
128
371.21
mp-28242
1.037666
2.320014
-5.437959
other
Tl12S2Cl8
22
128
671.86
mp-1198388
-5.412261
-2.294605
5.705262
other
Y8Mn12Si20
40
128
619.45
mp-1197445
2.465843
2.917293
-4.080189
other
Ta4N8Cl20
32
128
939.44
mp-1204182
-5.40754
-2.101356
5.001715
other
Ho8Re12Si20
40
128
656.55
mp-27293
-0.225908
1.323609
-4.551921
other
Tl8Hg2Br12
22
128
719.12
mp-542754
-5.4733
-2.53428
5.741597
other
Tb8Si20Os12
40
128
650.72
mp-23410
-4.405129
-1.074533
-3.059263
other
Nb12Se48I4
64
128
1,829.2
mp-28517
-0.915189
2.940248
-2.98005
other
Tl12Se2I8
22
128
900.71
mp-1200694
-3.857306
1.634703
3.048731
other
Dy8Co2B26
36
128
368.16
mp-1201455
-3.855065
1.680348
3.041029
other
Tm8Co2B26
36
128
358.4
mp-1200427
-5.437285
-2.130112
4.99095
other
Tm8Re12Si20
40
128
649.73
mp-731306
1.604037
2.264945
-3.52208
other
Nb4Br20N8
32
128
1,104.87
mp-680269
-5.413188
-2.0277
5.605845
other
Er8Fe12Si20
40
128
572.73
mp-1197504
-5.391436
-2.18792
5.093461
other
Sm8Re12Si20
40
128
679.22
mp-1190277
8.075942
2.403446
-1.160468
other
Sc2N6F12
20
128
273.86
mp-31076
-0.56386
1.208584
-4.241408
original
Tl4Te2Br12
18
128
605.79
mp-505334
-5.407622
-2.255358
5.707463
other
Dy8Mn12Si20
40
128
615.54
mp-22468
-5.341888
-2.079869
5.646382
other
Tb8Fe12Si20
40
128
582.03
mp-21588
-5.527294
-1.704893
5.15753
other
Sc8Fe12Si20
40
128
534.86
mp-1199331
-5.596786
-2.37558
4.776047
other
Pu8Re12Si20
40
128
647.02
mp-1197351
-5.721916
-2.38387
5.068267
other
U8Re12Si20
40
128
658.98
mp-21620
-5.764455
-2.294928
4.836527
other
U8Si20Tc12
40
128
656.07
mp-21531
-5.614298
-2.135412
5.589648
other
U8Mn12Si20
40
128
603.38
mp-504627
-3.822258
1.654628
3.005921
other
Er8Ni2B26
36
128
362.98
mp-1196838
-5.448229
-2.148595
5.043714
other
Dy8Re12Si20
40
128
659.68
mp-20518
-3.868938
1.701121
3.047752
other
Lu8Co2B26
36
128
350.2
mp-669402
-5.597134
-2.565616
5.898817
other
Lu8Si20Ru12
40
128
622.69
mp-697708
-5.579959
-2.651739
5.931536
other
Sm8Si20Ru12
40
128
660.92
mp-8590
8.323857
1.16509
1.29426
other
K4Hf2F12
18
128
325.92
mp-24822
3.470093
-0.684395
-2.466717
other
Na10Al6H28
44
128
454.53
mp-639228
-5.389324
-2.303999
5.73383
other
Tb8Mn12Si20
40
128
621.41
mp-1197725
-5.39646
-2.039709
5.597724
other
Y8Fe12Si20
40
128
580.59
mp-1204778
-5.379472
-2.23843
5.626978
other
Yb8Mn12Si20
40
128
608.41
mp-1196684
-5.435106
-1.97729
5.504266
other
Tm8Fe12Si20
40
128
564.77
mp-1105981
2.965716
3.097706
-4.172718
other
Pt4N8Cl8
20
128
435.63
mp-1204807
-5.45107
-2.181497
5.039733
other
Er8Re12Si20
40
128
652.49