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-571065
-0.701145
0.828542
-3.810911
other
Ti2Br6
8
148
240.06
mp-1227465
-9.375261
-5.86753
3.640916
other
Ca4Zn51
55
148
909.24
mp-1215634
-5.429934
-2.502922
-1.132068
other
Zr4Te6
10
148
289.23
mp-27127
10.212296
9.285013
-2.215156
other
Te8O18
26
148
371.86
mp-1103688
-8.287986
-4.337976
3.777188
other
Nd6Pt8
14
148
312.72
mp-510350
5.447327
3.32731
-3.539073
other
Sb2N18
20
148
296.71
mp-28495
-0.389915
0.653132
-3.241452
other
Zr6Br12
18
148
511.88
mp-1104184
-8.709935
-5.657378
3.940386
other
Pr6Pd8
14
148
320.61
mp-1104864
-8.294627
-4.312041
3.826033
other
Tb6Pt8
14
148
288.35
mp-705414
12.028873
11.920246
-0.117494
other
Fe13O14
27
148
288.4
mp-571442
-1.267246
1.764821
-1.854449
other
Y2I6
8
148
362.45
mp-28483
-0.912019
1.395504
-4.055439
other
W1Br6
7
148
222.36
mp-764326
11.993941
11.954428
-0.115123
other
Fe12O13
25
148
267.68
mp-22849
-1.030836
2.240612
-3.033664
other
Bi2I6
8
148
367.81
mp-1104019
-8.91163
-5.643295
4.161586
other
Y6Pd8
14
148
288.8
mp-23204
1.743434
2.687898
-4.8389
other
Fe2Cl6
8
148
195.36
mp-12699
-8.477776
-6.41155
2.727296
other
Ca6Au8
14
148
326.17
mp-30066
-7.205
-4.121241
1.010048
other
Sb7Pd20
27
148
448.45
mp-571518
1.985084
2.862775
-4.466575
other
W1Cl6
7
148
190.94
mp-28241
-1.20042
1.752664
-2.084575
other
Zr6I12
18
148
647.2
mp-1104158
-8.391335
-6.185786
6.557403
other
Pr9Rh6
15
148
389.54
mp-1407
-5.066517
-1.671646
-2.790032
other
Rh3Se8
11
148
218.4
mp-567950
-7.845325
-2.534076
3.91465
other
U22Ni32
54
148
812.17
mp-1104294
-8.066949
-4.342367
3.848392
other
Ce6Pt8
14
148
311.05
mp-1199295
-7.636828
-6.493414
2.423231
other
Cd41Ir8
49
148
1,039.53
mp-540546
-8.349381
-5.773724
6.089732
other
Er9Ni6
15
148
318.39
mp-1074405
-2.919712
-7.593984
7.463559
other
Mg8Si6
14
148
267.05
mp-1104074
-6.166746
-6.14221
3.040655
other
Sr9Pt6
15
148
449.3
mp-12612
-5.262901
-7.216729
3.177232
other
Ba9Ag6
15
148
626.96
mp-23232
-0.733993
1.213704
-4.354989
other
Fe2Br6
8
148
229.83
mp-23281
-1.209902
2.227555
-3.086163
other
Sb2I6
8
148
351.98
mp-559389
14.436134
6.066876
-0.272196
other
Si6O12
18
148
220.28
mp-1104136
-8.321271
-4.197649
3.7166
other
Er6Pt8
14
148
277.56
mp-1104774
-8.944051
-5.553624
3.998133
other
Er6Pd8
14
148
277.86
mp-669546
-8.319907
-4.427304
2.760229
other
Al13Pd13
26
148
372.69
mp-558569
15.274065
5.76151
0.203454
other
Si24O48
72
148
1,088.88
mp-29487
1.754704
2.79966
-4.99855
other
Pd6Cl12
18
148
444.39
mp-614777
9.366982
1.073963
-0.827968
other
Ni2F6
8
148
84.55
mp-1104088
-8.97124
-5.61821
4.024932
other
Tb6Pd8
14
148
289.01
mp-570734
-8.213393
-4.343904
3.777326
other
Pr6Pt8
14
148
319.35
mp-1104177
-8.436521
-5.893493
5.981009
other
Pr9Pt6
15
148
407.54
mp-1195805
-7.766947
-2.649576
4.953407
other
Ga41Mo8
49
148
833.42
mp-24043
10.494309
3.496492
-4.133988
other
H24O12
36
148
271.73
mp-1103963
-8.917334
-5.562861
4.134937
other
Lu6Pd8
14
148
268.44
mp-1104311
-8.826547
-5.709377
4.127262
other
Sm6Pd8
14
148
303.19
mp-1104753
-8.243379
-5.711022
5.610466
other
La9Pt6
15
148
419.3
mp-1104435
-8.650432
-5.809589
4.014789
other
La6Pd8
14
148
329.09
mp-23218
-1.017602
2.256058
-3.036071
other
As2I6
8
148
340.21
mp-1217357
-6.268692
-2.355042
-0.730668
other
Te8Ir3
11
148
275.2
mp-754624
12.579167
7.554496
0.507433
other
Al4O6
10
148
88.96
mp-27533
-7.97449
-4.161026
1.642225
other
P2Pd15
17
148
255.29
mp-685068
-0.370148
1.276864
-4.098019
other
Yb2Br6
8
148
277.5
mp-558115
15.651537
5.626153
0.354126
other
Si40O80
120
148
2,347.13
mp-683965
6.836008
2.501011
-2.851029
other
C72F36
108
148
1,220.6
mp-1215377
12.418706
8.88929
2.835823
other
Zr12O3
15
148
286.99
mp-555569
-5.576794
-0.065074
-5.544854
other
Cr4S6
10
148
176.6
mp-1104164
-4.989988
-6.830802
2.597259
other
Ba9Au6
15
148
580.72
mp-1104661
-6.483461
-6.720111
3.678156
other
Ca9Pd6
15
148
390.2
mp-984698
-7.134033
-5.709019
3.613765
other
Ca9Pt6
15
148
376.94
mp-1080636
-4.260106
-4.976977
-3.417023
other
Ce24Se48
72
148
4,975.45
mp-559550
15.67296
5.647239
0.412201
other
Si6O12
18
148
320.39
mp-2832
-5.423778
-1.623153
-3.812012
other
Cr4Se6
10
148
204.48
mp-7273
-6.186011
-2.331302
-0.92779
other
Te8Rh3
11
148
275.03
mp-753829
11.414335
13.225239
-0.170977
other
Cr4O6
10
148
103.96
mp-17717
-6.600888
-4.32497
2.453244
other
Pu6Pd8
14
148
299.56
mp-1209131
-8.196318
-4.575817
2.083019
other
Sn27Pd39
66
152
1,198.08
mp-634
-3.700101
-1.440405
-5.691253
other
Hg3S3
6
152
129.14
mp-1071319
-6.138857
-3.317417
-2.349406
other
Zn3Te3
6
152
160.4
mp-553432
10.530999
11.802498
2.233483
other
Ti3O6
9
152
164.14
mp-358
-5.82708
-3.435528
-2.540581
original
Hg3Te3
6
152
195.64
mp-20893
7.795871
5.166707
-2.397556
other
Ge3O6
9
152
115.03
mp-7000
14.992661
5.924736
0.106959
other
Si3O6
9
152
113.63
mp-1104286
-7.175575
-3.156814
4.139218
other
Ge12Rh3
15
152
261.81
mp-1100925
-4.738682
0.043223
-4.15362
other
V21S24
45
152
636.78
mp-489
-7.441677
-2.916838
4.328148
other
Ge12Ir3
15
152
262.58
mp-1492
-6.127399
-3.488735
-2.34797
other
Cd3Te3
6
152
194.48
mp-754629
0.8263
2.880032
1.658329
other
W3N6
9
152
183.19
mp-1208852
-7.503922
-4.720061
2.698221
other
Sn12Rh3
15
152
350.91
mp-1104673
5.724752
2.156551
-3.157061
other
Ir3C12
15
152
122.39
mp-540702
-5.741132
-1.847842
-2.791761
other
Fe21Se24
45
152
732.1
mp-733
11.766385
7.293376
-1.043484
other
Ge3O6
9
152
122.22
mp-15951
8.904243
1.144298
1.136175
other
Be3F6
9
152
97.77
mp-1180215
3.693698
3.656013
-3.864042
other
N6O3
9
152
203.1
mp-7826
8.982717
8.896412
-1.47009
other
Hg3O3
6
152
99.99
mp-306
13.902381
4.301069
-2.470409
original
B6O9
15
152
135.38
mp-1080265
-4.262305
-4.971323
-3.418165
other
Ce3Se6
9
152
481.07
mp-556435
-5.602741
-0.783073
-3.900919
other
Fe21S24
45
152
584.06
mp-1201871
-4.187182
-5.312425
5.22302
other
Li42Si18
60
153
875.56
mp-569890
1.776334
2.618857
-4.975381
other
Cr6Cl18
24
153
605.24
mp-1094404
-7.916509
-9.430698
6.965057
other
Y2Mg4
6
15
158.99
mp-554855
9.123202
1.58329
-0.36439
other
Cr8F32
40
15
550.57
mp-31033
8.698994
1.430157
1.13107
other
Hf6F24
30
15
354.47
mp-27148
-3.443549
-3.791994
0.67478
other
Be8P16
24
15
378.16
mp-1214755
-8.380205
-4.33707
1.980252
original
B2Pd12
14
15
196.95
mp-1103691
-8.690269
-6.28685
6.69026
other
Er10Ru4
14
15
350.92
mp-1206573
-5.396501
-6.351758
0.854855
other
K6Bi4
10
15
419.31
mp-1039058
-6.304746
-5.721177
0.549652
other
Mg2Bi4
6
15
176.06
mp-1079684
6.176403
5.162879
-4.514634
other
N4O4
8
15
139.5
mp-612520
-1.274995
2.095441
-2.333737
other
U2I8
10
15
665.75
mp-1097055
-4.004162
-7.149951
2.433463
other
K10La4
14
15
872.88