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-1075792
-3.091962
-7.66925
7.531241
other
Mg6Si4
10
2
196.23
mp-1179622
5.098727
2.824834
-3.764153
other
S2N2
4
2
76.45
mp-1073672
-2.575161
-5.355727
7.050701
other
Mg8Si16
24
2
416.72
mp-542621
-4.265812
-1.210031
-3.133385
other
Ta5Se10
15
2
580.89
mp-1377931
10.210737
9.707085
-1.224484
other
Sb8O16
24
2
418.99
mp-570748
-5.682087
-5.539353
0.493393
other
Zn52Sb40
92
2
2,150.72
mp-1249969
15.573942
5.68539
0.357519
other
Si20O40
60
2
1,239.61
mp-1226456
-5.436829
-1.615566
-3.824723
original
Cr8Se12
20
2
400.71
mp-642822
-0.70583
0.657525
0.474938
other
Ca4C8
12
2
194.99
mp-1073045
-2.395741
-5.548092
7.286695
other
Mg4Si6
10
2
180.45
mp-1095321
-0.970399
1.474195
-4.001389
other
W2Br10
12
2
384.67
mp-8886
-5.612962
-2.271678
1.148758
other
Tc8As12
20
2
330.8
mp-1190021
10.336432
9.218729
-2.106688
other
Te6O12
18
2
279.39
mp-1221177
0.803365
1.143304
-3.899284
other
Nd28Cl66
94
2
2,355.01
mp-684592
8.310863
2.154058
-4.442017
other
H16N16
32
2
224.14
mp-1073256
-2.157841
-5.799914
7.276909
other
Mg4Si6
10
2
193.21
mp-542298
8.329145
1.341104
-0.507645
other
Ag8F20
28
2
384.94
mp-30078
5.345143
3.341811
-3.994307
other
C6S16
22
2
573.26
mp-1196206
5.804525
2.164467
-2.942086
other
C216Cl24
240
2
3,109.47
mp-569578
-1.18616
1.946095
-2.666583
other
Nb2I10
12
2
500
mp-685109
-3.123966
-2.133486
-5.156712
other
Yb10S18
28
2
664.41
mp-684985
-1.18876
2.019162
-2.441626
other
Zr15I54
69
2
3,275.15
mp-541106
-4.36936
-1.188867
-3.070926
other
Nb4Se18
22
2
613.44
mp-1420266
1.38237
2.288811
-4.217042
other
V2Cl10
12
2
340.41
mp-685013
-3.928501
-0.415509
-4.458799
other
Ti4S8
12
2
302.27
mp-32697
2.951617
-0.470924
-1.861442
other
Y10H21
31
2
350.35
mp-32884
-4.032185
-1.207815
-5.354871
other
Ag4S2
6
2
129.09
mp-1080353
-4.186082
-3.994565
-3.339061
other
Ce6Se12
18
2
507.49
mp-684997
-6.151293
-2.338763
-1.012258
other
Ni23Te42
65
2
1,464.49
mp-17987
7.178361
8.385281
-0.940674
other
Tb11O20
31
2
443.95
mp-1196402
-7.928411
-2.781566
5.141075
other
Mn12Ga58
70
2
1,185.95
mp-32544
12.549788
9.514213
2.119365
other
Ti18O16
34
2
349.14
mp-29443
-0.742081
2.159348
-3.399931
other
P2I4
6
2
242.25
mp-684963
-5.472815
-2.105814
-3.054361
other
Fe3Se4
7
2
109.69
mp-1209915
7.198822
8.35987
-0.873191
other
Pr11O20
31
2
513.46
mp-27173
-4.883801
-1.714551
1.13848
other
P12Ru3
15
2
233.47
mp-1073539
-2.587885
-5.438822
6.945788
other
Mg8Si16
24
2
460.87
mp-1210215
-7.669375
-5.128398
1.902648
other
Pd16Pb16
32
2
671.1
mp-570782
1.326475
2.209766
-5.257428
other
Mg2Cl4
6
2
282.96
mp-1189572
-2.78411
-0.762363
-4.967078
other
As8S12
20
2
526.41
mp-1202928
-3.825321
-4.697435
5.952635
other
Si32C12
44
2
635.14
mp-1074672
-3.747828
-8.38939
7.184222
other
Mg8Si4
12
2
238.61
mp-656850
7.494638
6.769444
-4.228776
other
Ti4O14
18
2
345.82
mp-1181184
-5.551812
-4.796855
3.316508
other
Na6Pu6
12
2
331.68
mp-1075810
-3.230946
-7.735385
7.529795
other
Mg3Si2
5
2
97.23
mp-685124
-5.547653
-1.71918
-3.172853
other
Ni19Se20
39
2
616.43
mp-1188454
6.93144
7.584431
-3.440724
other
Pb6O12
18
2
312.18
mp-1338653
-1.170502
2.035199
-2.457416
other
Zr15I54
69
2
3,275.15
mp-685149
-5.022173
-6.177518
0.569884
other
K5Sb4
9
2
367.71
mp-1073416
-2.620122
-5.404259
6.971241
other
Mg4Si8
12
2
223.32
mp-1073065
-2.3345
-5.660921
7.311324
other
Mg4Si6
10
2
181.48
mp-684829
-5.549549
-1.574926
-3.067289
other
Co27Se32
59
2
915.97
mp-1100709
-2.171884
-5.821433
7.425776
other
Mg5Si6
11
2
202.24
mp-715482
12.87937
11.095776
-1.0276
other
Mo4O8
12
2
185.05
mp-1436789
-0.738652
1.398024
-4.039621
other
W2Br10
12
2
423.98
mp-684799
-4.528402
-5.482445
0.393689
other
K5As4
9
2
308.44
mp-27165
-8.35236
-1.858765
3.040397
other
Hf8Ni21
29
2
385.6
mp-767469
-5.63396
-1.075863
-3.897453
other
Ni9S10
19
2
260.11
mp-673643
10.090301
8.678506
3.098658
other
Ce17O32
49
2
709.11
mp-1302566
12.221783
12.106852
0.492964
other
Cr4O4
8
2
101.38
mp-27151
12.50011
13.320292
-1.717763
other
V14O26
40
2
399.33
mp-1178988
12.747003
12.71532
-1.379827
other
V8O14
22
2
270.42
mp-1074616
-3.676972
-8.409835
7.299652
other
Mg8Si4
12
2
234.42
mp-643265
8.480555
2.211525
-0.699191
other
Re2F14
16
2
214.35
mp-1074729
-3.672951
-8.343951
7.321391
other
Mg8Si4
12
2
236.84
mp-1278455
6.11518
13.269143
-2.565087
other
Co4O8
12
2
135
mp-991772
7.570141
8.290132
-0.674071
other
Pr7O12
19
2
400.6
mp-1216498
-4.805087
0.364027
-4.612074
other
V6S10
16
2
277.02
mp-1080867
-4.280301
-4.975527
-3.417211
other
Ce16Se32
48
2
4,509.53
mp-1074573
-2.770696
-7.320518
7.434967
other
Mg8Si6
14
2
285
mp-1073823
-2.507563
-6.774375
7.696031
other
Mg6Si6
12
2
219.79
mp-1217210
-5.575945
-2.295422
-1.411584
other
Ti8Te12
20
2
515.62
mp-1427168
0.906578
1.605344
-3.408765
other
Mo2Cl10
12
2
351.17
mp-1420476
0.327996
1.470201
-3.354352
other
U2Br10
12
2
534.82
mp-673692
-4.175117
-4.173999
-3.784967
other
Nd20Se38
58
2
1,487.39
mp-684733
12.768115
9.854832
1.902477
other
Ti20O22
42
2
424.96
mp-505619
10.458147
8.633422
2.888274
other
Ce11O20
31
2
455.89
mp-636746
12.079171
12.289661
-2.560907
other
V4O8
12
2
277.7
mp-1073154
-2.161205
-5.732446
7.393125
other
Mg8Si12
20
2
368.66
mp-644899
-7.423708
-3.693689
4.251761
other
U8Ir8
16
2
310.2
mp-1204545
9.271802
11.60762
-4.434913
other
V20O56
76
2
1,833.5
mp-1180654
8.831753
1.792045
-0.775768
other
Ni2F6
8
2
122.7
mp-1191538
-5.616738
-7.160537
3.83849
other
Ca16In6
22
2
737.68
mp-562100
-3.996361
0.009851
-3.925421
other
Nb4S12
16
2
320.72
mp-655986
4.83697
3.030288
-3.345493
other
Sr2N12
14
2
217.96
mp-1180309
-6.814539
-1.414387
5.452582
other
Mn8Al12
20
213
254.05
mp-639789
-5.662412
-0.136872
3.597185
other
Fe8Re12
20
213
265.87
mp-14172
-4.037593
-5.29615
5.570495
other
Sr4Si8
12
213
282.81
mp-16094
-4.011385
-5.124993
5.619174
other
Ba24Si100
124
213
2,842.88
mp-1205290
-9.257014
-4.821311
3.295221
other
Zn216Ru36
252
213
3,815.1
mp-1188500
-5.734202
-2.855129
3.650956
other
Nb12Au8
20
213
363.47
mp-625
-7.990313
-2.421152
4.862621
other
Mg12Ru8
20
213
329.27
mp-569965
-5.659993
-5.635672
3.408782
other
Ba24Ge100
124
213
3,259.77
mp-1189774
-6.490131
-1.263414
4.050659
other
V12Ga8
20
213
280.52
mp-1094056
-3.990112
-4.872939
5.652353
other
Si7Ge1
8
215
163.25
mp-570744
-4.519372
-5.106755
0.357731
other
Si3As4
7
215
151.33
mp-1205133
-5.775085
-2.893258
3.859417
other
Ti32In20
52
215
1,003.65
mp-1232376
-6.969881
-10.685447
5.045967
other
Mg19Ge5
24
215
541.87
mp-1188347
6.292238
2.635811
-2.78114
other
C12N8
20
215
131.51
mp-12541
-7.488109
-7.8811
2.215642
other
Ca16Hg36
52
215
1,377.04