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-1203455
-2.751951
-2.723282
-5.294331
other
Sm8Th4S20
32
62
740.6
mp-1232157
-2.697277
-2.600919
-5.831663
other
Lu8Mg4S16
28
62
639.91
mp-1190960
5.127453
-0.275833
-2.780754
other
Ca4B8H12
24
62
202.96
mp-1341277
8.673396
13.401733
-1.32621
other
Zn4Cr4O12
20
62
200.17
mp-1232148
-4.758627
-3.465073
-3.743224
other
Eu8Mg4Se16
28
62
863.86
mp-776129
10.263117
1.391573
1.946795
other
Li12Fe4F20
36
62
417.53
mp-1208156
7.311876
8.768014
-0.8639
other
Yb8Eu4O16
28
62
382.76
mp-1195976
-6.039708
-3.002973
3.998916
other
U8Ta12Ge16
36
62
672
mp-542486
-5.154163
-3.389241
5.559602
other
Sc12Si16Ni8
36
62
551.45
mp-1095346
-7.679593
-5.671852
3.28879
other
Eu4Cd4Pt4
12
62
279.13
mp-1102458
-8.243113
-3.948638
5.105633
other
Y4Ga4Rh4
12
62
226.12
mp-505390
9.785261
10.700603
1.163924
other
Ba8Re4O20
32
62
490.81
mp-28595
-4.708251
-3.066168
-4.049764
other
K4Na4Se4
12
62
334.73
mp-1214339
7.183312
2.399065
-2.93695
other
C72Br4F52
128
62
1,838.21
mp-5056
-4.939817
-0.857933
-5.384705
other
Mn8Si4S16
28
62
559.71
mp-1232196
-4.347952
-4.167682
-3.841985
other
Y8Mg4Se16
28
62
802.34
mp-17989
-2.629672
-0.759003
-5.408085
other
K12P4S16
32
62
869.71
mp-1197150
-6.790185
-4.734583
5.500452
other
Li4Pr16Ge16
36
62
929.59
mp-17363
9.664729
8.339582
3.258957
other
Ba4Ho8O16
28
62
431.56
mp-1209911
-6.683711
-3.412668
1.070416
other
Nd4Sb4Ir4
12
62
270.14
mp-1246598
-2.496608
-3.237505
-5.314913
other
Y16S12N8
36
62
755.48
mp-5285
10.79786
4.129099
-6.979724
other
Sr4S4O16
24
62
306.72
mp-31481
-7.718533
-4.6244
4.50557
other
Ca12Ga12Ir8
32
62
696.58
mp-1213970
9.451843
10.846264
0.868704
other
Ca4Os4O12
20
62
235.81
mp-1209562
-1.220202
2.501472
-2.187834
other
Rb8Pr4I20
32
62
1,393.62
mp-866832
-3.38143
-1.765082
-5.596892
other
Ca8Sn4S16
28
62
747.72
mp-727466
8.985957
9.79604
-3.810436
other
Mo12N8O40
60
62
1,006.61
mp-17833
-4.938859
-6.71267
3.092165
other
Ba12Ge4O4
20
62
633.62
mp-5616
13.241567
5.578551
-6.177835
other
Sr8P8O28
44
62
634.09
mp-1245711
0.432486
2.313878
2.218009
other
Cr16C4N16
36
62
314.95
mp-1207691
-9.486231
-4.619265
3.829908
other
Y4Cu20Sn4
28
62
432.03
mp-505540
-6.172351
-2.292058
1.643826
other
Ti4As4Rh4
12
62
179.75
mp-1214871
-5.871109
-3.268675
-2.315915
other
Al12Te12Br4
28
62
941.21
mp-1232118
-2.76953
-2.572493
-5.638523
other
Mg4Sc8S16
28
62
605.96
mp-1192904
-2.650829
-2.673364
-5.559794
other
Ba4Gd8S16
28
62
743.24
mp-1193787
-4.126735
-4.270935
-3.811503
other
Eu4Y8Se16
28
62
767.5
mp-781595
10.245959
9.449855
-2.164672
other
Co8Te16O40
64
62
965.68
mp-1212556
-0.5141
1.213445
-4.712406
other
K8Co4Br16
28
62
933.73
mp-1203815
6.787572
6.059685
-3.884408
other
Ba4Os4O36
44
62
715.61
mp-607711
6.430154
4.943755
-4.650054
other
Nd4N4O16
24
62
382.48
mp-861512
-4.039345
-3.803264
-3.889413
other
Pr4Cr4Se12
20
62
448.19
mp-1194312
11.281769
10.75236
-3.230417
other
Cs8Mo4O16
28
62
647.82
mp-1192761
1.422613
2.742104
-6.033241
other
Cs8Hg4Cl16
28
62
1,030.08
mp-1247278
-8.503336
1.465424
-3.258028
other
Te12Mo16N8
36
62
658.93
mp-1213426
-7.486019
-6.10513
5.341083
other
Er20Co4Bi8
32
62
851.9
mp-779552
10.365142
9.351651
-2.092408
other
Zn8Te16O40
64
62
974.58
mp-1208066
-9.489569
-4.608865
3.8221
other
Tm4Cu20Sn4
28
62
418.09
mp-1101788
-7.986234
-5.241583
3.974729
other
Eu4In4Rh4
12
62
272.6
mp-1201622
0.395306
1.861443
-4.062468
other
B4P4Br24
32
62
1,017.14
mp-1103238
-8.744085
-5.302389
3.953189
other
Lu4Ga4Pd4
12
62
222.79
mp-1210158
-6.194865
-0.309664
3.395628
other
Ni4W12N4
20
62
257.51
mp-1211564
-6.973165
-4.430299
5.51193
other
Li4Er16Ge16
36
62
778.16
mp-22013
11.907334
9.769322
2.33798
other
La4Ti4O12
20
62
250.79
mp-12431
8.856549
1.088461
1.49337
other
Ba4Be4F16
24
62
330.97
mp-1207799
-6.341505
-1.207348
2.054815
other
V4Co4As4
12
62
153.89
mp-18642
-2.648643
-2.67056
-5.647552
other
Ca4Y8S16
28
62
665.6
mp-1194661
-4.754785
-5.352223
0.521905
other
Sr24Ga8As24
56
62
1,616.5
mp-770830
9.733335
8.438821
1.166428
other
Ho4Bi4O12
20
62
303.26
mp-1201674
-6.001853
-0.438808
1.380538
other
Sm4Co20P12
36
62
441.79
mp-1192305
-5.044365
-4.30637
6.126809
other
Dy12Si8Ni4
24
62
519.1
mp-1178210
12.964646
0.57402
0.642944
other
Fe4O4F4
12
62
141.16
mp-9628
8.426017
0.8701
1.143463
other
K4Cd4F12
20
62
324.86
mp-1102373
-7.990317
-3.116682
4.712954
other
Y4Ge4Ir4
12
62
224.11
mp-1098000
9.283973
8.787166
1.955513
other
Li4Eu12O16
32
62
456.82
mp-1208896
-6.563114
-3.566255
0.824468
other
Sm4Sb4Rh4
12
62
264.07
mp-849371
9.935637
9.425973
-0.032052
other
Cd4Sn4O12
20
62
242.81
mp-505721
-3.559879
-1.057917
-5.344412
other
Rb12V4S16
32
62
986.86
mp-1103035
-8.36582
-3.827368
5.02635
other
Er4Ga4Rh4
12
62
220.23
mp-1211504
-1.080794
2.645066
-2.824533
other
K4Pb4I12
20
62
860.64
mp-1192185
-2.811435
-2.83692
-4.320442
other
Dy8P8S8
24
62
476.22
mp-1193169
-4.198903
-4.262019
-3.78457
other
Ba4Tm8Se16
28
62
793.48
mp-1189333
-4.702709
1.395388
3.465845
other
Er4B8Os4
16
62
194.94
mp-22220
9.778634
8.430228
3.20837
other
La4Lu4O12
20
62
287.52
mp-1213186
-6.588742
-7.582413
4.698326
other
Eu4Mg4Ga4
12
62
306.96
mp-772825
11.141211
11.741795
2.689729
other
Ta8Be4O24
36
62
423.49
mp-1247088
-6.136377
-2.100407
-0.987067
other
Co16Te12N8
36
62
577.86
mp-1213256
1.132546
2.339127
-5.966937
other
Cs4Eu4Cl12
20
62
700.73
mp-1193917
-4.146918
-4.29381
-3.770643
other
Sr4Tb8Se16
28
62
786.08
mp-18725
10.274596
11.02597
1.874176
other
Y4Cr4O12
20
62
219.38
mp-1182129
8.711059
1.273069
1.210014
other
Be4Pb4F16
24
62
343.83
mp-1207632
-5.284205
-3.42763
6.094697
other
Y4Co4Si4
12
62
198.44
mp-20223
13.226441
8.52043
-1.186038
other
Mn8Ge4O16
28
62
340.79
mp-608517
-7.613176
-4.96524
2.924218
other
Eu4Sn4Pt4
12
62
281.79
mp-1209547
-3.687603
-4.289633
-3.772253
other
Pr4As4Se4
12
62
300.13
mp-1207558
-7.769664
-5.836464
4.054087
other
Yb4Ga8Ag4
16
62
318.25
mp-623044
-6.157361
-3.844999
5.355391
other
Ce12Si8Rh12
32
62
650.31
mp-20597
-5.368939
-2.656473
6.066765
other
Tb4Mn4Si4
12
62
219.51
mp-28219
-0.303652
1.192098
-4.461185
other
Tl4Cd4Br12
20
62
612.37
mp-625404
12.296191
5.444674
-2.254706
other
Al4H4O8
16
62
116.36
mp-726066
7.957243
2.48945
-1.184909
other
Be4N8F16
28
62
609.8
mp-1189194
10.52524
11.818634
3.281413
other
Na4Nb4O12
20
62
252.07
mp-680291
-3.468411
-1.766196
-5.235649
other
Ba60Fe28S100
188
62
5,189.77
mp-1213904
7.219779
8.191074
-2.297116
other
Cd8Cl4O12
24
62
502.63
mp-31119
10.319532
8.461093
3.247157
other
Tb4Sc4O12
20
62
247.24
mp-24814
5.133663
-0.42832
-3.040246
other
K4B4H16
24
62
245.5
mp-770881
9.015063
14.767889
-0.626003
other
Mn8Be4O16
28
62
279.55
mp-696582
9.465579
4.772036
-5.011792
other
Ba4S4O8
16
62
310.55
mp-1213986
-5.357056
-4.621233
1.532552
other
Ce20Ge4Sb8
32
62
914.32
mp-1095431
-8.069112
-4.175675
4.557684
other
Yb4Ga4Ni4
12
62
212.21
mp-867152
-6.206453
-6.336366
3.918781
other
Eu4Mg4Ge4
12
62
292.85