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-27804
1.371706
2.55263
-5.868317
other
Rb6Cu4Cl14
24
68
639.75
mp-1204414
-9.489165
-0.412421
4.484091
other
Tm6B24Rh24
54
68
632.29
mp-756074
9.527674
7.847013
-3.547854
other
Bi4P2O12
18
68
241.6
mp-1248289
-3.80189
-1.562009
-5.610271
other
Al16Bi12S48
76
68
2,087.62
mp-867534
8.692722
0.955408
-0.066189
other
Li4Ag8F16
28
68
406.45
mp-1246341
2.260058
2.180565
1.372921
other
In8Ga4N12
24
68
346.21
mp-1264321
-4.646815
-2.967742
-3.824344
other
Al16Bi12Se48
76
68
2,319.29
mp-1214234
6.971049
5.586578
-3.162099
other
Ca4Cl8O8
20
68
403.62
mp-559909
8.148084
10.741708
1.233746
other
Sr6Ru4O14
24
68
315.51
mp-1204074
-3.986824
-1.462263
-5.406333
other
Na16Au16S16
48
68
1,149.95
mp-1193074
7.259373
4.914968
-5.25393
other
U2C8O20
30
68
467.55
mp-1200942
-9.44179
-0.374016
4.478065
other
Er6B24Rh24
54
68
635.63
mp-1210492
6.489425
5.718344
-3.356822
other
Pb4Cl8O8
20
68
450.39
mp-772019
1.075794
1.652719
-5.198641
other
Ba10La4Cl32
46
68
1,596.26
mp-1223260
-6.899041
-4.002603
6.051465
other
La1Al10Cu2
13
69
220.97
mp-31470
-5.7143
-7.325982
2.832338
other
Na8Tl2Au2
12
69
332.71
mp-14338
-4.652125
-2.389284
-3.421501
other
Cs2Pt3Se4
9
69
270.24
mp-1225156
-7.403474
-1.42378
4.908669
other
Er1Mn6Ga6
13
69
195
mp-18405
12.200537
11.570594
-1.361685
other
Cr4W4O16
24
69
272.24
mp-1102838
-6.120294
-6.05608
3.915134
other
Eu4Zn2Ge6
12
69
278.46
mp-1080141
-5.128552
-0.904605
-4.669573
other
Cs2Ni3S4
9
69
222.41
mp-11694
-4.585449
-2.44397
-3.321099
other
Cs2Pd3Se4
9
69
266.71
mp-1224854
-5.594771
0.327772
3.264371
other
Fe2Re2B2
6
69
63.96
mp-1223098
-2.128931
0.483812
2.366611
other
La4Y1C10
15
69
247.31
mp-1226217
-6.358902
0.261686
3.340654
other
Cr2Co2B2
6
69
54.52
mp-1216849
-7.346387
0.523187
4.555883
other
U1Fe10Si2
13
69
160.72
mp-4676
-8.448965
-0.595117
5.127464
other
La3B6Ru8
17
69
238.82
mp-1221661
-6.950124
0.283997
3.560096
other
Mn2Co2B2
6
69
53.25
mp-1216566
-6.716217
-6.451018
1.993793
other
Tl2Pd2Pb2
6
69
139.15
mp-14336
-5.272531
-2.048083
-3.409249
other
Cs2Ni3Se4
9
69
242.05
mp-25225
7.100916
9.909641
0.293127
other
Ba4Cu6O12
22
69
349
mp-1102390
-6.711223
-5.990851
3.825614
other
Eu4Ge6Au2
12
69
284.35
mp-1219525
-5.407863
0.237845
3.219482
other
Re2B2Mo2
6
69
72.07
mp-1221298
-1.288967
2.224769
-2.304321
other
Na2U1I6
9
69
506.54
mp-1220240
-5.422297
-4.665677
6.415835
other
Nd10Co2Si4
16
69
422.4
mp-1275227
12.25721
11.40873
0.297602
other
Mg2Fe4O6
12
69
124.16
mp-11695
-3.964591
-1.253175
-4.515917
other
Rb2Pd3S4
9
69
224.77
mp-1220345
-5.783774
-3.422819
1.915337
other
Nb2Sn2Sb2
6
69
134.52
mp-1218057
-5.463206
-2.475249
3.511986
other
Ta10Ga4Sn2
16
69
284.24
mp-1216595
-3.733924
-1.980508
-5.243014
other
Tl4Se2S2
8
69
233.16
mp-1220918
-5.778035
-2.272373
3.628212
other
Nb18Fe6Ge4
28
69
459.72
mp-568511
-9.556393
-1.104666
4.284451
other
Ca7B14Rh20
41
69
553.97
mp-1226225
-5.34094
0.210956
3.193653
other
Cr2B2W2
6
69
66.84
mp-1216852
-7.982178
-0.436735
4.361261
other
U1Co10Si2
13
69
159.13
mp-1224984
-7.019074
0.735952
3.551544
other
Fe2Co2B2
6
69
53.25
mp-569257
-9.560987
-1.034121
4.315531
other
Ca3B6Rh8
17
69
228.03
mp-1223003
-2.117476
0.471532
2.362002
other
La4Ho1C10
15
69
246.12
mp-13992
-4.14333
-1.37657
-4.517658
other
Cs2Pt3S4
9
69
246.61
mp-1224960
-7.267141
0.756206
3.359023
other
Fe2Ni2B2
6
69
53.08
mp-14696
-9.507157
-0.916659
4.349694
other
La2B4Rh5
11
69
156.93
mp-1219534
-5.324138
0.284362
3.201125
other
Re2B2W2
6
69
72.64
mp-1224135
-7.574815
0.023644
4.91909
other
Ho1Ga6Fe6
13
69
191.02
mp-1219518
-7.94713
-1.506362
4.379549
other
Sc1Ga6Co6
13
69
182.18
mp-28706
-9.511105
-1.01562
4.294501
other
Sr5B10Rh14
29
69
400.16
mp-8895
-9.556167
-0.990016
4.342319
other
Ca2B4Rh5
11
69
150.04
mp-8806
8.206896
9.842926
1.058881
other
Sr2Cu2O3
7
69
176.16
mp-570529
-9.598694
-0.977749
4.334571
other
Eu2B4Rh5
11
69
153.97
mp-29752
-7.961925
-2.548332
2.60196
other
Ni2Ge2Pt4
8
69
111.01
mp-1221654
-6.860472
0.509239
3.60446
other
Mn2Fe2B2
6
69
54.15
mp-672322
-9.589977
-1.031528
4.300462
other
Eu3B6Rh8
17
69
235.58
mp-8896
-9.537723
-0.91347
4.359301
other
Sr2B4Rh5
11
69
157.24
mp-1222429
-7.363816
-1.424568
4.831191
other
Lu1Mn6Ga6
13
69
191.51
mp-4030
-4.148051
-1.346183
-4.423601
other
Rb2Pt3S4
9
69
228.21
mp-1079718
-5.252535
-0.963387
-4.512386
other
Rb2Ni3S4
9
69
200.37
mp-1219261
-7.373833
0.733036
4.721467
other
Sm1Fe10Si2
13
69
165.16
mp-1225497
-7.519525
0.0477
4.880271
other
Gd1Ga6Fe6
13
69
178.8
mp-795639
-2.794917
-7.885878
1.773385
other
Rb2Be4Pt3
9
69
215.32
mp-531291
10.884846
11.850204
2.6153
other
Ta16Cu9O48
73
69
878.08
mp-568771
-9.525883
-0.96953
4.321281
other
Sr3B6Rh8
17
69
238.14
mp-571209
-7.655072
-0.293211
4.540908
other
Y3B6Os8
17
69
233.97
mp-1227027
-7.55701
-1.724723
2.847812
other
Ce2Si9Ni17
28
69
348.8
mp-1219675
-7.129539
-2.44189
5.285255
other
Sc14Cr10Ge18
42
69
701.1
mp-1228637
-5.548494
0.030337
3.267107
other
B2Mo2W2
6
69
74.29
mp-1226484
6.833136
10.159734
-1.9825
other
Co1Cu2O6
9
69
132.37
mp-1103721
-6.869851
-6.625668
3.867954
other
Eu4Zn6Ge2
12
69
273.96
mp-510268
-3.953405
-1.31261
-4.570489
other
Cs2Pd3S4
9
69
244.18
mp-1224143
-7.351976
-1.425589
4.837953
other
Ho1Mn6Ga6
13
69
192.97
mp-1222439
-7.338166
0.633613
4.603405
other
Lu1Fe10Si2
13
69
161.21
mp-1217038
-8.53534
-4.211944
4.894525
other
U1Al6Cu6
13
69
191.22
mp-29570
-4.060615
-5.116961
5.413692
other
Ca4Si6Ag2
12
69
258.14
mp-1103453
-5.758018
-6.185815
3.800657
other
Sr4Li2Ge6
12
69
299.32
mp-1223002
-2.122572
0.475894
2.360573
other
La4Dy1C10
15
69
246.99
mp-754848
9.922944
9.47009
0.347569
other
Na8Sn4O12
24
70
284.21
mp-20976
-9.285569
-0.907786
4.39809
other
Eu2B4Ir4
10
70
151.19
mp-15551
-4.004782
-5.464276
5.336218
other
Sr8Li4Si12
24
70
575.79
mp-1106331
1.793845
2.593819
0.200783
other
Na6Y2N12
20
70
401.14
mp-8431
-9.457655
-0.880385
4.322451
other
Ca2B4Rh4
10
70
144.03
mp-760321
15.071936
12.329076
-0.846517
other
V4O4F4
12
70
130.97
mp-754067
12.549252
11.503124
0.224477
other
Cr4O2F4
10
70
187.42
mp-15521
-3.979037
-5.531457
5.119608
other
Ba8Li4Si12
24
70
652.05
mp-1213632
-4.716474
-1.350066
-5.073684
other
K8Ni12S8
28
70
671.27
mp-1079803
-7.832129
0.01295
4.749807
other
Th2B4Os4
10
70
152.06
mp-1094022
-4.017635
-1.370585
-5.933926
other
Zn8Ga16S32
56
70
1,141.16
mp-761229
6.433761
17.833862
-0.591291
other
Na8Mn4O12
24
70
241.77
mp-1195782
-2.577294
-0.449263
-5.082352
other
U4P8S28
40
70
1,082.42
mp-1410909
7.133852
8.102746
-3.012305
other
Zn2O4F4
10
70
135.12
mp-752883
6.380035
12.749651
-1.27638
other
Li4Fe6O12
22
70
221.88
mp-1195649
5.49014
-0.223087
-2.938163
other
Mn4B8H32
44
70
330.72
mp-1211013
10.568581
10.270432
-0.450835
other
Na8Mo4O8
20
70
578.12
mp-3348
-8.978363
-0.917269
4.249481
other
Li4B4Ir4
12
70
147.66