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-1395287
9.249625
2.612444
1.673571
other
Ca2W2F8
12
140
180.53
mp-1188308
-8.359298
-6.225142
5.746972
other
Er10Sb2Au4
16
140
418.74
mp-16687
-5.375011
-2.955327
2.640724
other
Ti10Sb4Rh2
16
140
288.36
mp-1180767
9.46501
1.931921
1.98545
other
K2Cr2F6
10
140
144.82
mp-601400
-7.221597
-0.811981
4.292326
other
Gd2Co18Si8
28
140
361.46
mp-1196608
-7.790103
0.299056
5.662704
other
Nd12Tl2Fe26
40
140
764.8
mp-23488
-4.461643
-2.704273
-4.346991
other
Tl10Se4I2
16
140
532.49
mp-28080
-5.954887
-3.412438
-1.945555
other
K4Sn2Te10
16
140
575.25
mp-12266
9.19141
0.629256
0.596368
other
Ca2Cu2F8
12
140
149.73
mp-1203722
-8.566022
-0.502153
4.905555
other
La12Co26Sb2
40
140
749.94
mp-1029457
0.792931
2.325887
1.738148
other
Ba2Co4N4
10
140
165.36
mp-1208721
-3.980852
-5.690079
5.279719
other
Sr8Ca2Si6
16
140
503.21
mp-504451
1.385258
2.705628
-6.066024
other
Cs6Mn2Cl10
18
140
634.91
mp-1206840
7.342752
10.564428
0.354315
other
Sr2Rh2O6
10
140
126.55
mp-1196352
-7.743285
0.247596
5.691473
other
Pr12In2Fe26
40
140
783.45
mp-1188856
-6.092938
-0.760856
3.836563
other
V10Si4B2
16
140
198.11
mp-1208420
-7.932008
-6.270017
6.169676
other
Tb10Bi2Pd4
16
140
427.09
mp-571457
-5.437326
-3.094815
2.849053
other
Ti8Ni2Bi4
14
140
271.72
mp-20740
-5.916315
-3.999811
-2.181776
other
Tl8Te6Pb2
16
140
533.79
mp-17895
8.63884
0.83015
1.451773
original
K6Be2F10
18
140
267.71
mp-1189602
-6.945937
-5.302534
5.303532
other
Ce10Ga4Ge2
16
140
399.2
mp-571439
-6.827581
-5.454269
5.338931
other
Ce20Ga10Br8
38
140
1,001.71
mp-1211653
8.943522
7.454669
-4.273671
other
K6P2O10
18
140
311.85
mp-23504
-1.21491
2.157087
-2.062675
other
Sr4In2I10
16
140
650.43
mp-21134
-8.349903
-6.251791
2.213763
other
K2In4Au8
14
140
322.39
mp-3387
11.388868
8.328097
0.690509
other
Ca2Si2O6
10
140
93.95
mp-1104209
-8.176382
-2.535585
2.493913
other
Nd2Ni8Sn4
14
140
239.26
mp-13020
-5.245845
-2.834179
2.745773
other
Ti10Cu2Sb4
16
140
277.59
mp-1188610
-6.838958
0.083865
3.405699
other
Fe10Si4B2
16
140
167.02
mp-19851
-6.115297
-3.502043
-2.028755
other
K2In2Te4
8
140
280.82
mp-643697
3.395558
-0.633356
-2.431602
other
Rb6Mn2H10
18
140
379.62
mp-16060
8.485302
1.521852
-0.426425
original
Ag2Au2F8
12
140
175.12
mp-1214549
7.45859
10.277421
1.555454
other
Ba6Mn2O10
18
140
325.41
mp-510125
-8.1634
-2.577637
2.607286
other
Ce2Ni8Sn4
14
140
232.44
mp-1211603
-7.490283
-0.017861
5.555168
other
La12Al10Fe18
40
140
807.17
mp-9579
-4.688972
-3.134388
-3.991308
other
Al2Tl2Se4
8
140
212.7
mp-34765
-5.99123
-3.880385
-2.291561
other
Tl8Cu2Te6
16
140
480.56
mp-1246208
0.702687
2.407554
1.781081
other
Sr2Mn4N4
10
140
174.37
mp-567852
-7.338611
-0.696874
4.171173
other
Sm2Co18Si8
28
140
340.11
mp-1212863
-8.234467
-6.360395
6.187671
other
Dy10Bi2Pt4
16
140
414.97
mp-643656
3.103213
-0.698054
-2.166401
other
Li10H18Pt4
32
140
290.15
mp-1014168
-0.269714
1.402747
-4.598609
other
Cs2Pb2Br6
10
140
406.14
mp-582984
-7.72713
0.300311
5.655007
other
Pr12Fe26Pb2
40
140
783.06
mp-1245942
0.728494
2.505228
1.793075
other
Mn4Pb2N4
10
140
167.47
mp-27801
-1.223306
2.960531
-3.00969
other
Tl2Ag2I4
8
140
285
mp-3419
8.450761
1.234586
-0.117198
other
Rb2Au2F8
12
140
226.83
mp-568244
-0.457105
1.150773
-4.424003
other
Tl2Sn4Br10
16
140
518.8
mp-1198821
-7.859575
0.36773
5.663981
other
Nd12Fe26Cu2
40
140
737.8
mp-1210052
8.393178
2.312711
-1.215289
other
Na2Br2F8
12
140
166.87
mp-16648
-7.449258
-5.002784
2.699057
other
Li2Sn8Rh2
12
140
251.35
mp-23520
-0.929295
2.472086
-3.144634
other
In2Pb4I10
16
140
632.11
mp-1210754
-8.051266
-6.194651
6.150173
other
Lu10Ni4Sb2
16
140
358.08
mp-567780
-0.51058
1.14137
-4.466705
other
Rb2Sn4Br10
16
140
541.79
mp-1868908
9.164231
0.645762
0.442714
other
Ca2Ni2F8
12
140
154.2
mp-9580
-4.6828
-2.959674
-3.992209
other
Tl2Ga2Se4
8
140
221.13
mp-680469
-7.18948
-5.851578
5.766211
other
La20Ga10Cl8
38
140
1,054.35
mp-1201794
-7.742868
0.291373
5.683414
other
Pr12Tl2Fe26
40
140
772.96
mp-1197734
-7.633259
0.194177
5.616524
other
Pr12Fe26Bi2
40
140
789.47
mp-1189157
-6.206376
-0.093266
3.261022
other
Mn10Si2B4
16
140
159.58
mp-11145
-9.020225
-4.604864
3.701441
other
Ba2Cu18Ge8
28
140
422.89
mp-1106106
-4.464573
-3.023467
-4.128817
other
Tl8Au2Se6
16
140
435.1
mp-10164
-6.031069
-3.431194
-2.190264
other
Na2Ga2Te4
8
140
231.95
mp-570271
-5.345986
-2.761599
3.185618
other
Ti8Fe2Bi4
14
140
273.09
mp-1188317
-5.399852
-2.541112
3.498883
other
Ta10Ga4Sn2
16
140
288.54
mp-1184118
3.124579
-0.562527
-2.530802
other
Cs6Cd2H10
18
140
447.77
mp-7388
8.608806
1.378519
-0.408534
other
Na2Au2F8
12
140
162.2
mp-1188319
-7.177072
0.379569
3.112922
other
Co10B4P2
16
140
147.71
mp-1105536
-5.480296
-3.785697
-0.617004
other
Ba2U4Te10
16
140
536.25
mp-1181507
-8.088698
-6.608824
6.209669
other
Dy10Bi2Au4
16
140
429.56
mp-1246276
0.699076
2.442176
1.737282
other
Ba2Mn4N4
10
140
188.34
mp-1211225
-4.544342
-3.174769
-3.956949
other
K2Tl2Se4
8
140
236.06
mp-570022
-8.120465
-6.439573
6.433179
other
Ho10Co4Bi2
16
140
400.46
mp-3785
-6.108346
-3.504157
-2.310337
other
Tl2Ga2Te4
8
140
254.15
mp-1194086
-7.75421
-0.932723
3.960552
other
Ce2Co18Ge8
28
140
365.02
mp-1208414
-7.66764
-6.222966
6.096309
other
Tb10Ni4Sb2
16
140
391.18
mp-12265
8.952078
0.782304
0.728826
other
Sr2Cu2F8
12
140
169.77
mp-28520
-5.958272
-3.448685
-1.895211
other
Rb4Sn2Te10
16
140
609.79
mp-1105622
1.462962
2.821079
-6.135219
other
Cs6Co2Cl10
18
140
624.56
mp-1096939
-1.009744
2.391642
-3.120839
other
Cu2Ge2I6
10
140
360.91
mp-2939
7.136236
8.367807
-0.678271
other
Ba2Tb2O6
10
140
173.93
mp-1208605
-7.353724
-6.103058
6.486564
other
Tb24Al14Si2
40
140
1,053.68
mp-1213148
-7.33665
-0.73228
4.160312
other
Er2Co18Si8
28
140
337
mp-1213466
-8.763411
-6.018356
6.263992
other
Er42In8Rh20
70
140
1,680.42
mp-1210591
-7.739612
0.274861
5.68726
other
Pr12Ga2Fe26
40
140
762.29
mp-1210208
-7.761672
0.319429
5.676964
other
Nd12Al2Fe26
40
140
742.95
mp-1193590
-7.308982
-0.661318
4.189528
other
Gd2Co18Si8
28
140
340.29
mp-1197328
8.298879
2.110654
-0.949055
other
Al10N10F40
60
140
837.74
mp-581281
-7.961236
-6.501901
6.347038
other
Dy10Sb2Au4
16
140
473.42
mp-1202860
-7.762585
0.296041
5.699153
other
Pr12Cd2Fe26
40
140
778.34
mp-1102001
8.2067
1.970017
-1.054972
other
Al2N2F8
12
140
158.11
mp-1192715
-8.92555
-4.925071
3.271552
other
Ba2Cu18Sn8
28
140
481.32
mp-568431
-7.701608
0.246068
5.584264
other
Nd12Fe26Sb2
40
140
762.94
mp-12623
8.428844
1.223575
0.53593
other
Ba2Pd2F8
12
140
209.52
mp-1207417
-5.442899
-3.482706
3.061585
other
Zr10Cr2Sb4
16
140
346.92
mp-22209
-4.911501
-0.098754
3.272162
other
Cr6As2N2
10
140
112.86
mp-1106359
1.012956
2.529155
-4.432477
other
Li10Cl6O2
18
140
293.18
mp-4096
11.220524
8.767828
2.330833
other
Ce2Al2O6
10
140
106.62
mp-22255
-6.116012
-3.521067
-1.976287
other
Rb2In2Te4
8
140
300.44
mp-1210381
-7.913954
-6.265629
5.332896
other
Nd6In8Ge2
16
140
447.78
mp-1104302
-8.230738
-2.56917
2.495773
other
La2Ni8Sn4
14
140
239.29