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-16392
12.669157
10.594521
1.042435
other
Tm16Mo16O44
76
55
964.99
mp-1191268
-8.370096
-6.287438
5.619046
other
Tm10In8Pd4
22
55
522.94
mp-1210020
10.117951
7.66612
-2.702832
other
Ni12B4O20
36
55
323.06
mp-504898
-4.610215
-1.232123
-3.272855
other
Nb4Pd6Se16
26
55
607.19
mp-19976
10.900174
7.892212
2.911474
other
Ce8S6O8
22
55
398.72
mp-1201558
-6.943402
-0.822266
4.633853
other
Zr12Fe12Ge24
48
55
755.31
mp-1213107
-3.620064
1.611041
2.944544
other
Er4Al4B16
24
55
239.43
mp-29970
9.691079
9.756515
-1.040792
other
Cs12Sb20O56
88
55
1,444.49
mp-1213099
11.805516
10.742606
1.22181
other
Er4Mn8O12
24
55
354.6
mp-22471
-3.677239
1.792059
2.9812
other
Nd4Ni2B20
26
55
264.11
mp-570983
-4.595042
-3.252394
-3.814022
other
Sr16Sn8Se36
60
55
1,735.87
mp-861269
6.13941
9.073212
-1.339457
other
Cd4Pb2O8
14
55
189.08
mp-510306
-4.15794
1.728377
3.113742
other
Sc8Cr4B24
36
55
336.63
mp-1346119
12.669133
10.71717
1.68398
other
Mg4Ti4O10
18
55
213.48
mp-7691
-4.275918
1.623847
3.190392
other
Y4B16Mo4
24
55
254.26
mp-1191689
-4.333642
1.360379
3.163985
other
Pu4B16Os4
24
55
246.3
mp-21591
-5.569392
-2.367419
4.924406
other
Zr12Cr12Si24
48
55
719.31
mp-780453
12.551251
9.843629
2.403251
other
Tb16Nb16O44
76
55
1,042.2
mp-1194987
-8.140396
-5.230844
3.78068
other
Sr4In32Ir8
44
55
1,032.88
mp-1346571
12.764901
10.352643
0.003422
other
Zn4W4O10
18
55
240.94
mp-18601
7.937447
13.587267
0.481069
other
Dy4Mn8O20
32
55
348.25
mp-725973
1.292835
2.387806
-5.774049
other
K8Hg4Cl16
28
55
818.66
mp-646321
-8.336747
-6.199023
5.790706
other
Lu10In8Ni4
22
55
478.36
mp-1207725
8.081208
13.751081
0.31161
other
Tm4Mn8O20
32
55
339.96
mp-1197008
-2.978786
-2.282626
-5.928243
other
Ho8In10S26
44
55
986.4
mp-18798
7.523033
11.914141
1.852546
other
Sr4Mn4O10
18
55
228.22
mp-22548
-3.837548
1.87779
2.993357
other
Th4Co2B20
26
55
262.93
mp-1209897
7.894599
10.953125
-0.79821
other
Ni2Pt6O12
20
55
230.22
mp-764848
10.191777
1.01246
1.609344
other
Li28Mn10F48
86
55
940.83
mp-16391
12.760164
10.574757
1.080413
other
Er16Mo16O44
76
55
975.65
mp-1203741
-7.402139
-4.837447
3.54003
other
Tm12Mn12Sn24
48
55
1,049.17
mp-569116
-3.877921
1.696002
3.024385
other
Sc8B24Rh4
36
55
344.85
mp-4425
-4.733188
-1.332839
-3.054578
other
Ta4Pt6Se16
26
55
610.9
mp-1177463
8.399961
14.755576
-1.133933
other
Li8Mn18O36
62
55
657.73
mp-17871
-7.243687
-2.650226
6.20788
other
Ca4Al32Co8
44
55
698.57
mp-27280
1.431873
2.238492
-5.482845
other
Na4Mn2Cl8
14
55
312.93
mp-1272996
7.896434
11.785116
2.249646
other
La4Mn4O12
20
55
250.02
mp-1203832
-8.228434
-3.402111
4.967711
other
Eu4Ga32Ir8
44
55
780.89
mp-1198064
-7.469125
-2.325611
5.213307
other
Er12Ge24Os12
48
55
856.7
mp-1191244
-3.525009
1.667588
2.935233
other
Yb4Al4B16
24
55
242.41
mp-1341052
12.471596
10.054069
0.488765
other
Ca4W4O10
18
55
239.91
mp-1191553
-4.235076
1.340595
3.069611
other
Pu4Tc4B16
24
55
248.09
mp-1195339
-5.617512
-0.364907
3.447014
other
Nb12B12Os12
36
55
449.88
mp-9216
7.375738
9.302124
0.191598
other
Ca12Tl8O24
44
55
624.77
mp-703682
7.900837
13.328663
0.474743
other
Gd4Mn8O20
32
55
356.91
mp-1198929
-4.091081
1.549412
3.110948
other
Tb8Re4B24
36
55
393.75
mp-1191710
-4.315929
1.681918
3.193749
other
Lu4Fe4B16
24
55
218.36
mp-1212324
-3.609488
1.764644
2.965586
other
Ho4Ni2B20
26
55
251.29
mp-1347146
6.520441
11.694728
-0.683839
other
Ca4Ni4O10
18
55
208.91
mp-28432
-1.256989
2.963132
-2.913244
other
Tl6Cd4I14
24
55
968.94
mp-22223
13.859018
8.297766
-2.187434
other
Fe12B4O20
36
55
355.03
mp-1212866
-3.954601
1.69061
3.041314
other
Dy4B16Rh4
24
55
244.11
mp-755624
7.245707
8.552712
-0.367002
other
Ca4Pr2O8
14
55
215.55
mp-891880
10.115843
8.304767
-2.871412
other
Ag16Ge16O48
80
55
1,210.7
mp-1191115
-4.301388
1.629986
3.176426
other
Ho4B16Mo4
24
55
253.32
mp-1191620
-4.230449
1.561884
3.078513
other
Pu4B16Ru4
24
55
244.42
mp-1368679
6.739127
12.92241
-1.587937
other
Mg4Co4O10
18
55
191.1
mp-1207600
-4.091349
1.64133
3.121757
other
Y4Co4B16
24
55
228.61
mp-1204281
-7.592003
-2.226642
4.891679
other
Hf12Ge24Ru12
48
55
788.27
mp-1196513
-7.792999
-2.271803
5.221327
other
Sc12Ge24Ru12
48
55
799.46
mp-13342
-3.921277
1.686237
3.055347
other
Er4B16Rh4
24
55
240.47
mp-1374093
12.735363
11.050814
1.668485
other
Ti4Zn4O10
18
55
212.61
mp-1200195
-6.989398
-1.672239
5.415847
other
Sc12Mn12Ge24
48
55
809.33
mp-562537
-4.61628
-0.37666
-4.200225
other
Ta4Ni6S16
26
55
487.21
mp-1199430
-6.734594
-0.69606
4.131903
other
Ti12Fe12Ge24
48
55
691.12
mp-27321
-4.556929
-1.572718
-5.753911
other
Na6Cu8S8
22
55
384.54
mp-31355
7.340886
8.884879
0.0143
other
Sr12Tl8O24
44
55
731.08
mp-1342614
6.902452
9.697682
-1.275793
other
Ca4Ag4O10
18
55
240.24
mp-1201869
-4.20225
1.521566
3.152598
other
Lu8Re4B24
36
55
371.35
mp-683893
-7.706372
-2.813849
4.204562
other
Hf12Ge24Rh12
48
55
795.55
mp-1191927
-4.181534
1.700804
3.065952
other
Ce4Cr4B16
24
55
243.79
mp-866656
-4.228087
1.729309
3.161142
other
Gd4Fe4B16
24
55
233.93
mp-865491
-4.06224
1.647743
3.080165
other
Lu4Ni4B16
24
55
220.65
mp-615760
-5.054006
-6.075488
0.726431
other
Ba10In4Sb12
26
55
1,018.63
mp-1191253
-4.3118
1.591739
3.172066
other
Dy4Cr4B16
24
55
233.76
mp-1191987
-4.287135
1.68137
3.199469
other
Dy4Fe4B16
24
55
229.15
mp-1212905
-3.864149
1.602012
3.026253
other
Er8B24Rh4
36
55
377.5
mp-1204606
-7.98854
-2.590478
5.260005
other
Sm4Ga32Fe8
44
55
728.96
mp-1197091
-5.244473
-2.279244
1.344041
other
Ta16Ni4Te16
36
55
956.94
mp-1192121
-4.173988
1.384457
3.115345
other
Tb4Re4B16
24
55
250.07
mp-1190368
-4.232202
1.353052
3.141541
other
Dy4Re4B16
24
55
250.05
mp-30283
-0.182451
0.583762
-3.068082
other
Tb8Si2Br12
22
55
749.92
mp-1194542
-7.246441
-2.493289
6.200416
other
Ce4Al32Co8
44
55
700.96
mp-1207490
9.006845
7.406168
-3.207805
other
Zn12B4O20
36
55
366.2
mp-769656
10.675586
8.717704
2.409532
other
Ba4Ce4O10
18
55
352.31
mp-22802
7.666747
13.086535
0.773734
other
Pr4Mn8O20
32
55
375.34
mp-21181
-3.969858
1.730973
3.06146
other
Yb4Ni4B16
24
55
225.92
mp-554244
-2.822845
-2.402513
-5.843079
other
Pr4Sn2S10
16
55
357.33
mp-984836
-4.135281
1.593944
3.114775
other
Dy4B16Ru4
24
55
242.79
mp-27295
12.412768
7.39695
-0.352362
other
Mg28Ge10O48
86
55
880.42
mp-28964
-4.893214
-2.284069
1.683101
other
Ta16Fe4Te16
36
55
1,025.16
mp-1213100
-4.117115
1.697484
3.117394
other
Er4Co4B16
24
55
221.59
mp-770488
6.459398
12.607618
-1.347887
other
Co8Pb8O24
40
55
443.8
mp-1210460
1.327016
2.232685
-5.351841
other
Na4Fe2Cl8
14
55
317.74
mp-21569
-5.640441
-2.139278
4.850905
other
Hf12Re12Si24
48
55
749.55
mp-554191
11.208014
8.838531
1.293734
other
Na4U2O8
14
55
191.87
mp-27693
-2.968269
1.246411
2.778207
other
Sc4B8C8
20
55
186.07
mp-505545
-4.241832
1.660365
3.213643
other
Lu8Fe4B24
36
55
348.79
mp-632693
-6.784951
-3.777725
4.083264
other
Zr10In8Rh4
22
55
453.32
mp-555069
-2.812693
-2.408664
-5.922366
other
Tb4Sn2S10
16
55
334.89