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-759914
12.496155
0.298243
0.18933
other
Fe4O4F4
12
70
130
mp-1214284
5.514131
-0.375384
-3.130182
other
Ca4B8H16
28
70
391.97
mp-1080734
-7.707393
0.050968
4.69411
other
Ce2B4Os4
10
70
149.85
mp-1202941
5.435499
-0.489634
-3.014526
other
Mg4B8H32
44
70
372.57
mp-21943
-3.417106
-1.500246
-5.601391
other
Ba8In16S32
56
70
1,606.12
mp-4770
10.585895
4.116538
-7.177593
other
Na4S2O8
14
70
172.24
mp-766558
8.383862
14.772003
-1.239899
other
Na4Mn12O24
40
70
473.42
mp-18800
13.808167
8.795157
-0.964633
other
Cr4Si2O8
14
70
156.53
mp-9910
-3.952768
-1.224321
-4.583017
other
K4Pd6S8
18
70
423.46
mp-1209748
8.952733
4.63987
-5.872521
other
Zr4S8O24
36
70
1,201.6
mp-560860
8.101633
11.037243
-0.496897
other
Na8Pt4O12
24
70
266.37
mp-779592
8.776707
1.934374
2.4235
other
Gd4O4F4
12
70
185.94
mp-27175
10.912677
9.013995
0.060983
other
In4O4F4
12
70
152.04
mp-1079255
-9.044633
-0.835769
4.447919
other
Tb2B4Ir4
10
70
146.45
mp-1215041
11.459325
8.07175
-2.704863
other
Ag8P4O8
20
70
377.28
mp-561799
-3.698738
-1.636815
-5.685019
other
Yb8Ga16S32
56
70
1,237.09
mp-755127
8.447585
8.777146
-3.063133
other
Ag4Ge2O8
14
70
189.45
mp-1197056
-4.754588
-3.156853
-3.709712
other
Sm8Ga16Se32
56
70
1,424.54
mp-1199653
-7.313871
-2.715378
3.728861
other
Hf16Ti8Ni24
48
70
730.3
mp-975729
-8.401889
-0.416447
5.079553
other
Pr2B4Ru4
10
70
149.52
mp-1191880
-5.782439
-6.217299
3.783465
other
Sr8Li4Ge12
24
70
610.64
mp-891361
5.63181
11.234766
-1.752478
other
Na8Fe4O12
24
70
253.72
mp-571171
-4.638369
-2.876658
-3.997298
other
Ga16Pb8Se32
56
70
1,493.04
mp-1212720
-4.549737
-2.816574
-3.322643
other
K8Pd12Se8
28
70
896.09
mp-1212481
9.136949
8.932021
-1.980173
other
Hg8Ge4O8
20
70
635.91
mp-756116
5.687168
13.359674
-1.758799
other
Na8Co4O12
24
70
247.48
mp-17228
-5.303763
-0.985036
-4.56668
other
K4Ni6S8
18
70
372.67
mp-1212591
-4.728665
-2.552797
-3.785416
other
Rb8Ni12Se8
28
70
974.32
mp-11641
9.22899
7.194418
-3.579606
other
Ag4Se2O8
14
70
206.57
mp-21781
-3.46081
-1.518282
-5.655176
other
Sr8In16S32
56
70
1,473.68
mp-1214149
12.933706
8.761355
-0.553321
other
Cd8Si4O8
20
70
468.66
mp-1079413
7.340675
5.345775
-3.474377
other
Zn2O4F4
10
70
140.32
mp-770322
7.210192
8.486685
-0.73891
other
Rb8Pr4O12
24
70
505.27
mp-1104130
-3.301161
-3.964276
0.575354
other
Ba2P8Au4
14
70
328.27
mp-1078948
-9.130198
-0.771827
4.460144
other
Nd2B4Ir4
10
70
150.88
mp-7348
-9.350894
-0.834465
4.493662
other
Sr2B4Rh4
10
70
151.16
mp-1095136
-7.676833
0.010795
4.769818
other
La2B4Os4
10
70
154.15
mp-752891
11.939157
12.276389
1.906187
other
Li2Ti6O12
20
70
216.67
mp-978678
-7.65922
0.085824
4.752212
other
Sm2B4Os4
10
70
149.08
mp-31014
-2.548686
-0.361918
-5.25367
other
Zr4P8S28
40
70
1,007.65
mp-6939
-9.155153
-0.869111
4.414317
other
Sr2B4Ir4
10
70
153.73
mp-1189549
8.402532
1.199079
-4.039402
other
Li4H8N4
16
70
126.95
mp-1190390
6.51496
5.813497
-3.452552
other
Ba2Cl4O16
22
70
305.63
mp-568836
-0.750009
1.628407
-1.87437
other
Ba12Ge4I8
24
70
1,080.53
mp-754444
7.010517
9.577719
-1.775961
other
Zn2Ag4O8
14
70
195.79
mp-1079388
-8.463802
-0.337727
5.070551
other
Nd2B4Ru4
10
70
148.2
mp-1188089
-5.550462
-2.005637
-3.279934
other
K4Ni6Se8
18
70
428.59
mp-1196984
-3.779066
-1.527745
-5.826973
other
Ga16Pb8S32
56
70
1,349.93
mp-15588
-8.329725
-0.372049
4.94019
other
Ce2B4Ru4
10
70
147.13
mp-1176406
6.685272
8.892962
-0.670364
other
Na8Bi4O12
24
70
347.53
mp-14422
-3.717038
-1.600434
-5.996253
other
Ca8Al16S32
56
70
1,244.95
mp-1095029
-9.15046
-0.80227
4.455702
other
Dy2B4Ir4
10
70
145.8
mp-1191372
-4.243575
-5.103527
5.382244
other
Eu8Si12Ag4
24
70
541.2
mp-1219638
1.427477
2.171561
0.227691
other
Rb4Ba4N12
20
70
647.75
mp-1207552
8.185693
2.959873
-1.356897
other
Zn4O8F8
20
70
386.47
mp-1215023
10.380707
7.727343
-2.417289
other
Ag8As4O8
20
70
547.57
mp-14622
-9.088461
-0.795461
4.467267
other
Y2B4Ir4
10
70
146.29
mp-14423
-3.704971
-1.538522
-5.824626
other
Ca8Ga16S32
56
70
1,231.63
mp-1192867
8.185616
7.898018
-3.772125
other
U4Si2O20
26
70
444.96
mp-13995
10.769757
8.005474
-3.019539
other
Hg4Ge2O8
14
70
207.03
mp-1210902
7.716431
5.47128
-3.328483
other
Na8Se4O8
20
70
466.6
mp-1195274
-6.611495
-4.982961
0.374622
other
Bi24Rh6Cl4
34
70
994.93
mp-5625
9.647532
5.470638
-5.822158
other
Ag4S2O8
14
70
190.79
mp-1210848
8.647804
4.268531
-5.343997
other
Na8S4O8
20
70
479.97
mp-1283463
8.468821
10.631494
-2.716307
other
Cr4Bi4O16
24
70
352.26
mp-21733
-4.699157
-3.144185
-3.843601
other
Sr8In16Se32
56
70
1,674.6
mp-758437
10.285114
13.726419
-0.720765
other
Li4Cr6O12
22
70
214.97
mp-17491
-5.608702
-6.306867
3.720503
other
Ba8Li4Ge12
24
70
676.72
mp-568778
-5.331032
-2.552437
-2.799438
other
Cu8Te8Br8
24
70
687.03
mp-1205388
-3.964935
-1.254605
-4.516667
other
Rb4Pd6S8
18
70
448.72
mp-7126
-5.964365
-3.655282
2.063001
other
Ti4Sn4Sb4
12
70
262.15
mp-780698
11.995303
12.682636
-1.220639
other
Na8V4O12
24
70
261.99
mp-1191305
-8.741446
-4.238134
4.669829
other
U2Al10Cu12
24
70
350.17
mp-625886
11.630875
4.637855
-3.961626
other
Ta4H8O14
26
70
305.1
mp-4530
11.837208
6.836493
-1.417729
other
Cd4Si2O8
14
70
176.44
mp-18865
9.88444
10.821319
0.153276
other
K6Fe4O8
18
70
301.73
mp-1178491
7.843828
2.359767
1.039468
other
Bi4O4F4
12
70
203.36
mp-3696
11.328728
11.296414
2.464998
other
U2Nb6O20
28
70
396.99
mp-1210462
5.713407
2.023847
-3.205861
other
Na8H8N8
24
70
396.95
mp-1181942
-3.720304
-1.59962
-5.774542
other
Eu8Ga16S32
56
70
1,294.89
mp-758089
12.549479
11.91857
1.679839
other
Li4Ti6O12
22
70
211.22
mp-21766
-4.680774
-3.109244
-3.820841
other
Ba8In16Se32
56
70
1,850.41
mp-1080104
-9.088511
-0.785445
4.438694
other
Pr2B4Ir4
10
70
152.11
mp-1214067
8.01813
5.616188
-3.089773
other
Cd8As4O8
20
70
464.47
mp-554123
6.791121
9.404596
-2.540631
other
Ba2Mn4O16
22
70
399.74
mp-1080672
-8.483306
-0.394632
5.044405
other
Th2B4Ru4
10
70
148.88
mp-14425
-3.665895
-1.523716
-5.736993
other
Sr8Ga16S32
56
70
1,321.86
mp-978771
-8.39117
-0.346696
5.06212
other
Sm2B4Ru4
10
70
145.99
mp-5141
9.083407
6.689973
-3.810653
other
Na4Se2O8
14
70
191.51
mp-1194032
7.782258
7.233018
-4.49018
other
Pu2S4O24
30
70
525.93
mp-1211418
-4.406126
-2.819139
-3.413743
other
Rb8Pd12Se8
28
70
825.91
mp-1103788
-4.326603
-2.798869
0.762993
other
Sr2Ni4P8
14
70
233.02
mp-752520
10.272527
7.996671
2.4978
other
Gd4I4O4
12
70
278.88
mp-18869
8.698415
13.14818
0.308543
other
Na8Mn4O10
22
70
258.08
mp-560383
10.150832
11.206484
3.142565
other
La16Ti36O96
148
70
1,875.34
mp-14340
-4.673271
-2.34076
-3.139096
other
Rb4Pd6Se8
18
70
493.15
mp-18691
-5.429976
-2.013557
-3.2658
other
Rb4Ni6Se8
18
70
446.65
mp-752666
8.741122
0.931059
-0.169752
other
Li2Ag4F8
14
70
203.96
mp-23850
8.28504
1.169596
-3.910985
other
Na4H8N4
16
70
178.27
mp-1178564
9.981654
8.95488
-2.719844
other
Ag4Te2O8
14
70
229.64