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-505531
-5.06404
-0.976519
-4.246884
other
Fe2S2
4
129
67.99
mp-1018717
-5.882449
-3.632236
1.797451
other
Hf2Sb4
6
129
145.08
mp-21657
-4.482554
-3.087976
-4.12503
other
Tl20Se12
32
130
946.87
mp-1198012
-8.069242
-5.351462
4.179879
other
Yb20Ir12
32
130
729.71
mp-669594
-7.844265
-6.59835
6.517989
other
Pr20Ga12
32
130
926.19
mp-1201811
6.575881
5.835251
-3.593274
other
Sr4O40
44
130
561.21
mp-1199558
-8.82577
-6.194211
6.659887
other
Sm20Ir12
32
130
795.25
mp-1179215
6.583218
5.849614
-3.573198
other
Sr4O40
44
130
558.16
mp-1200226
-9.029427
-6.078938
6.52685
other
Dy20Ir12
32
130
744.69
mp-1178787
12.130237
13.398248
-2.531471
other
V16O32
48
130
575.28
mp-1205022
-5.850586
-3.209926
-1.784364
other
Cs16Te112
128
130
5,105.22
mp-1199235
-8.459758
-5.807757
6.187315
other
La20Ir12
32
130
866.95
mp-1198712
-8.86969
-6.047865
6.500708
other
Y20Ir12
32
130
756.44
mp-21538
-5.214552
-6.767376
3.5474
other
Ba20Ge12
32
130
1,235.6
mp-1197997
-9.086992
-5.909021
6.497288
other
Ho20Ir12
32
130
734.36
mp-650328
-5.645461
-2.291532
-1.54979
other
Nb12Te48
60
130
1,799.53
mp-568220
-5.635556
-2.330941
-1.566197
other
Nb24Te96
120
130
3,684.19
mp-1201266
-8.95469
-5.877805
6.431052
other
Tb20Ir12
32
130
755.55
mp-30522
-8.700025
-6.208451
6.512075
other
Nd20Ir12
32
130
827.91
mp-672217
-7.375418
-6.287213
6.016417
other
La20Ga12
32
130
961.07
mp-669320
-3.90838
-5.915701
5.092702
other
Ba20Si12
32
130
1,214.44
mp-672256
-7.80925
-6.252332
6.208424
other
Y20Ga12
32
130
827.98
mp-1210280
-4.50698
-1.224626
-3.040174
other
Nb12Se48
60
130
1,420.28
mp-202
-5.673244
-2.389728
-1.496741
other
Ta12Te48
60
130
1,823.57
mp-1205021
-8.698447
-6.199203
6.538184
other
Pr20Ir12
32
130
847.08
mp-680259
-5.666088
-2.410012
-1.506312
other
Ta24Te96
120
130
3,682.75
mp-21658
-7.928783
-6.516328
6.436216
other
Sm20Ga12
32
130
869.84
mp-1201760
-9.104188
-5.779714
6.331133
other
Er20Ir12
32
130
723.19
mp-1196886
-8.069475
-6.17466
6.321027
other
Ho20Ga12
32
130
799.13
mp-1198195
-9.083837
-5.999795
6.541098
other
Tm20Ir12
32
130
713.58
mp-18773
10.673129
11.172165
-3.065236
other
W4O12
16
130
216.61
mp-681150
-6.184812
-4.36142
3.10282
other
Pu20Rh12
32
130
701
mp-850009
-5.188066
-0.898346
-4.261909
other
Fe4S8
12
13
209.47
mp-649605
11.013342
11.219736
-2.883224
other
W50O146
196
13
2,839.33
mp-1197211
9.08759
10.034513
-2.149021
other
Sb18O48
66
13
861.89
mp-1042656
11.795193
11.25002
-2.158661
other
W6O16
22
13
286.2
mp-1213423
-4.984921
-5.060628
0.379091
other
Eu16As24
40
13
1,053.48
mp-1205212
8.259577
1.990725
-1.249927
other
B128F192
320
13
4,710.76
mp-32625
1.982694
2.945226
-4.430696
other
Mo6Cl24
30
13
795.13
mp-569175
1.625178
2.265275
-4.726751
other
Zr2Cl8
10
13
291.86
mp-645339
-7.060369
0.644516
3.448166
other
Fe20C8
28
13
259.57
mp-570763
2.017632
2.769326
-4.451721
other
V4Cl16
20
13
895.16
mp-1205379
3.550924
-0.467913
-2.523893
other
Ge4H16
20
13
422.22
mp-1019078
0.847424
2.31329
1.672259
other
Re2N4
6
13
57.16
mp-1080854
-4.279315
-4.976172
-3.417414
other
Ce18Se36
54
13
4,933.98
mp-27340
1.778187
2.687889
-4.510449
other
Re4Cl16
20
13
593.73
mp-27701
10.68073
10.67029
-3.745069
other
Mo18O52
70
13
1,052.14
mp-831269
9.953977
12.125094
-4.294132
other
V28O70
98
13
1,503.98
mp-1104544
10.904252
9.130729
0.249608
other
Sn6O8
14
13
256.94
mp-1213665
-5.647276
-5.633427
0.676808
other
Eu16Sb24
40
13
1,260.19
mp-560190
10.708523
10.67779
-3.73106
other
Mo32O92
124
13
1,858.32
mp-545488
13.658258
6.226621
-0.648358
other
Si4O8
12
13
167.83
mp-571235
-1.173555
2.042957
-2.496251
other
Zr6I24
30
13
1,325.11
mp-759943
12.55111
7.539376
0.557155
other
Al32O48
80
13
757.85
mp-706630
6.446266
0.315574
-3.402733
other
B40H56
96
13
846.84
mp-1227634
-3.249348
1.718296
2.77915
other
Be8B50
58
13
422.5
mp-28777
11.201892
10.846407
-3.53745
other
Mo18O50
68
13
1,086.84
mp-1098705
-4.288367
-4.962574
-3.391171
other
Ce4Se8
12
13
766.36
mp-31070
-2.887797
-0.834183
-4.859579
other
As16S18
34
13
924.89
mp-622497
12.947128
13.085726
-1.126536
other
V12O20
32
13
347.98
mp-29422
1.551892
2.264668
-4.715359
other
Hf2Cl8
10
13
288.51
mp-2669
10.717612
10.679518
-3.727209
other
Mo16O46
62
13
929.5
mp-31010
-4.836168
-5.16831
0.395878
other
Ca16As24
40
13
966.16
mp-865511
1.975812
2.777643
-4.39816
other
V4Cl16
20
13
630.5
mp-560155
15.637763
5.655506
0.368451
other
Si18O36
54
13
1,022.47
mp-1776732
5.891498
8.901601
-1.846566
other
Bi4O10
14
13
247.13
mp-999264
0.387057
2.152484
2.177412
other
Re2N2
4
131
45.81
mp-1097032
0.688356
3.081809
1.543979
other
Cr32N64
96
131
2,770.19
mp-600080
15.57651
5.661785
0.325948
other
Si64O128
192
131
4,376.47
mp-999086
0.248088
2.148957
1.956191
other
Tc2N2
4
131
45.24
mp-753682
11.896608
11.401196
0.066025
other
Fe4O4
8
131
101.39
mp-1210339
4.284531
2.385166
-3.198174
other
Ni4C16
20
131
374.48
mp-697179
2.617859
-0.401542
-1.539969
other
Zr4H4
8
131
104.72
mp-1007660
0.790662
2.19585
1.602
other
Ir2N2
4
131
45.53
mp-2803876
7.29934
9.714597
-1.683025
other
Ag2O2
4
131
61.12
mp-600002
15.674905
5.635302
0.40198
other
Si8O16
24
131
449.91
mp-554755
15.584124
5.66046
0.3308
other
Si32O64
96
131
2,179.06
mp-755073
12.171889
12.219731
0.349821
other
Cr4O4
8
131
94.07
mp-1080637
-4.276056
-4.971553
-3.418055
other
Ce32Se64
96
131
10,887.91
mp-1019097
-1.088161
0.937994
1.7176
other
Si2C4
6
131
69.83
mp-1214775
-0.198355
1.420831
-4.201602
other
Au2Br4
6
131
234.45
mp-1430841
1.180994
2.390594
0.084067
other
Ni2N2
4
131
54.22
mp-1214760
-0.645942
2.418251
-3.44779
other
Au2I4
6
131
261.51
mp-677074
9.639961
8.38078
-0.559422
other
Pb2O2
4
131
88.53
mp-1692
7.561056
10.683094
-0.962771
other
Cu2O2
4
131
42.92
mp-7947
7.776029
11.065264
-1.075403
other
Pt2O2
4
131
53.46
mp-1417269
0.059981
2.794365
1.481555
other
Fe2N2
4
131
56.35
mp-1336
7.827969
10.813255
-0.851312
other
Pd2O2
4
131
50.08
mp-690760
2.661998
-0.258711
-1.526517
other
Ti4H4
8
131
79.37
mp-288
-4.194002
-1.40674
-4.338891
other
Pt2S2
4
131
74.69
mp-570108
-2.274024
0.568622
2.358314
other
Th2C4
6
131
96.42
mp-639480
15.724757
5.606848
0.425757
other
Si18O36
54
131
1,074.28
mp-999307
0.372491
2.219104
1.951264
other
Os2N2
4
131
44.75
mp-999293
0.884887
2.240087
1.22138
other
Pd2N2
4
131
49.19
mp-1079127
2.761467
-0.348886
-1.660997
other
Ti4H6
10
132
82.72
mp-20652
8.338737
1.294892
-0.314457
other
Pb4F12
16
132
253.37
mp-1080122
9.42245
8.665795
-0.462493
other
Bi4O6
10
132
173.6
mp-1080341
-4.270964
-4.946779
-3.401277
other
Ce8Se16
24
132
1,645.01
mp-554665
15.112739
5.76943
0.051678
other
Si8O16
24
132
377
mp-680580
-4.935905
-4.748023
0.007256
other
Zn96As64
160
133
3,390.63