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-1263094
-2.896099
-5.248991
6.851803
other
Mg8Si16
24
26
402.86
mp-1284510
11.909832
13.618869
-2.314638
other
V8O16
24
26
279.21
mp-560030
8.478941
0.998144
1.739322
other
Ca2F4
6
26
88
mp-1215880
-5.525793
-2.876182
2.765819
other
Zr32As20
52
26
1,098.57
mp-1094400
-4.315812
-3.740629
4.5674
other
Mg6Ti6
12
26
234.08
mp-1279995
9.132129
14.878651
-0.433353
other
Mn12O16
28
26
298.82
mp-1206587
6.71547
6.540984
-3.504878
other
Eu2O6
8
26
103.37
mp-1094269
-6.177742
-4.282192
3.216377
other
Zr6Sn6
12
26
280
mp-1181813
9.744961
13.113078
-0.812384
other
Fe24O32
56
26
641.07
mp-1096430
-4.191168
-3.929322
-3.273345
other
Ce8Se16
24
26
639.63
mp-1094347
-4.315873
-3.756804
4.563767
other
Mg6Ti6
12
26
234.72
mp-1206655
6.85282
7.188553
-3.397568
other
Ba2O6
8
26
134.77
mp-1220618
-5.27541
-2.254221
2.549713
other
Nb32P20
52
26
868.26
mp-715275
9.470051
13.243987
-0.758635
other
Fe12O16
28
26
289.69
mp-560882
9.142947
7.367646
-3.501474
other
Se4O8
12
26
174.68
mp-1206311
6.761096
6.019856
-3.345189
other
Sr2O6
8
26
109.7
mp-1343531
6.280428
9.02385
-1.226366
other
Bi8O16
24
26
439.6
mp-27411
-3.384958
-3.881775
0.529179
other
Tl4P20
24
26
569.88
mp-1078944
-3.288842
-2.080029
-5.578187
other
Pb4S4
8
28
270.21
mp-715035
12.094394
13.438256
-2.534644
other
V16O32
48
28
574.56
mp-1095646
3.093338
-0.386006
-1.923707
other
H10W2
12
28
67.8
mp-20123
-5.843202
-2.924228
-1.967298
other
Te16Au8
24
28
677.94
mp-1205384
-5.888083
-3.713792
-1.340716
other
La4Te8
12
28
390.13
mp-28180
8.245878
2.036822
-0.520565
other
Sb32F120
152
29
2,508.57
mp-680333
-4.49301
-2.72245
-3.513862
other
Ge16Se36
52
29
1,634.04
mp-568251
-5.536451
-1.709235
-3.196294
other
Ni48Se40
88
29
1,378.89
mp-1271276
2.01759
2.161862
1.397558
other
Sb4N4
8
29
165.27
mp-1080297
-4.278618
-4.167887
-3.397658
other
Ce4Se8
12
29
340.89
mp-685097
10.886967
9.800549
3.832474
other
Hf4O8
12
29
131.46
mp-569461
5.019841
3.332665
-3.52145
other
Hg4N24
28
29
480.54
mp-1207466
3.633971
-0.552743
-2.728545
other
Zn4H24
28
29
559.55
mp-1229002
-3.122895
-1.066679
-4.818176
other
As32S32
64
29
1,548.05
mp-569051
3.479652
-0.719052
-2.473047
other
Mg4H8
12
29
107.08
mp-550714
9.511423
8.081332
-1.262022
other
Pb4O4
8
29
188
mp-1207544
-6.312529
-5.764265
3.593922
other
Zn8Ge8
16
29
383.9
mp-27465
-2.163
-0.190091
-4.981201
other
S32O4
36
29
905.34
mp-556605
10.813134
9.890519
3.961479
other
Zr4O8
12
29
136.77
mp-1213206
-3.375721
-3.872529
0.468978
other
Cs4P28
32
29
867.18
mp-639733
15.590897
5.676742
0.38003
other
Si24O48
72
29
1,321.84
mp-1120783
5.932495
3.177929
-2.899479
other
Al30C30
60
3
1,959.74
mp-685007
-5.893736
-3.72602
-1.485747
other
Tb20Te36
56
3
2,254.26
mp-1015567
0.680248
3.104549
1.511128
other
Cr4N8
12
3
174.32
mp-581967
11.001222
11.915251
2.722955
other
Nb28O70
98
3
1,436.93
mp-1258196
15.639613
5.626723
0.358065
other
Si34O68
102
3
1,905.01
mp-1215897
-9.580947
-4.87108
3.19463
other
Zn53Co7
60
3
808.53
mp-556376
14.205564
6.157464
-0.516889
other
Si4O8
12
3
147.64
mp-850249
-4.890136
-0.865658
-4.524022
other
Fe8S10
18
3
629.61
mp-567269
-1.115007
2.211643
-3.116324
other
Te8I32
40
31
1,822.56
mp-22693
-9.330851
1.715721
-3.973581
other
Te8W4
12
31
332.76
mp-570506
-0.873811
1.574423
-2.22218
other
Zr4I8
12
31
407.63
mp-1120742
5.522552
2.883633
-3.761877
other
S6N4
10
31
916.85
mp-754071
6.316624
8.757554
-1.482074
other
Pb4O6
10
31
153.11
mp-1198336
-7.163352
-2.526011
5.929299
other
Al78Co24
102
31
1,447.71
mp-1217632
-5.442731
-3.920998
3.292127
other
U16Pb6
22
31
543.46
mp-1285335
11.913403
13.61569
-2.312202
other
V8O16
24
31
278.75
mp-545552
11.081509
9.067192
0.315187
other
Sn2O2
4
31
80.37
mp-1430706
0.303115
2.094787
2.301399
other
W2N2
4
31
41.3
mp-1189633
-3.587832
-1.408031
-5.11271
other
Sb8S12
20
31
530.53
mp-999317
0.368167
2.201506
1.957447
other
Os2N2
4
31
44.33
mp-1188318
4.09794
-0.392734
-2.655898
other
Si2H16
18
31
233.55
mp-1147708
-2.681187
-0.410181
-4.99244
other
P4S6
10
31
1,257.33
mp-684653
-5.512685
-2.937284
-4.581669
other
Cu4Se2
6
31
101.32
mp-1120744
5.594018
2.95273
-3.780367
other
S6N4
10
31
194.89
mp-553945
15.567223
5.66361
0.337646
other
Si32O64
96
31
1,869.18
mp-1394209
12.353921
10.810259
-1.405263
other
W4O10
14
32
226.21
mp-285
10.918768
10.798947
-3.54303
other
Mo34O94
128
32
1,785.46
mp-1218177
-6.270015
-2.030436
4.029836
other
Ta18Os12
30
35
493.9
mp-1229280
-7.740408
-6.5814
2.450258
other
Cd40Ni8
48
35
999.61
mp-1220934
-6.279849
-1.996292
3.817007
other
Nb18Os12
30
35
500.06
mp-1221719
-6.299089
-0.767036
3.670933
other
Mo18Os12
30
35
465.9
mp-1221651
-6.332187
-0.700966
3.589554
other
Mo18Ru12
30
35
458.87
mp-1173794
-5.282709
-7.235061
2.835183
other
Na18O3
21
35
744.36
mp-655656
10.990143
12.19151
2.089783
other
Ti4O8
12
35
378.63
mp-1191069
13.111917
10.001323
0.192912
other
W11O12
23
35
367.3
mp-1219644
-6.36939
-0.647042
3.829168
other
Ru12W18
30
35
462.66
mp-1215714
-8.981862
-5.013564
2.630726
other
Zn16Pd8
24
35
336.99
mp-1227062
-5.546121
-7.459476
4.243203
other
Ca1Yb3
4
35
163.62
mp-1219297
-5.830608
-0.72564
3.621271
other
Re18Mo12
30
35
467.96
mp-1226444
-6.902182
-0.404057
3.805404
other
Cr18Co12
30
35
335.67
mp-554089
15.41236
5.745519
0.337455
other
Si4O8
12
33
176.75
mp-22889
1.583932
2.345096
-5.322629
other
Zn4Cl8
12
33
307.26
mp-28027
8.391534
2.02633
-0.934299
other
As4F12
16
33
245.11
mp-230
9.996984
9.945118
-0.66389
other
Sb8O16
24
33
311.28
mp-729728
6.636342
4.743277
-4.673538
other
C4O8
12
33
231.23
mp-402
-3.412074
-3.951511
0.642698
original
Cd4P8
12
33
280.59
mp-1190691
-2.686322
-2.539052
-5.513168
other
La8S16
24
33
557.92
mp-542896
8.648315
13.216001
-1.309316
other
Fe16O24
40
33
448.02
mp-1196526
-1.347712
1.72574
-2.368366
other
Nb24I44
68
33
2,592.99
mp-641661
8.270693
2.412416
-0.724692
other
Xe16F96
112
33
1,980.48
mp-620058
5.032795
3.231133
-3.470547
other
Pb12N72
84
33
1,296.83
mp-2254
12.564919
7.544209
0.451033
other
Al16O24
40
33
358.1
mp-715276
8.415119
13.418767
-1.190896
other
Fe8O12
20
33
204.36
mp-778667
7.555438
9.670444
-3.872603
other
Cr4O12
16
33
257.27
mp-616204
1.770602
2.489767
-5.094272
other
Ga12Cl28
40
33
1,128.83
mp-754628
0.855465
2.867338
1.642109
other
W4N8
12
33
287.77
mp-775837
10.642909
8.595859
3.260372
other
Sc16O24
40
33
506.46
mp-771717
8.789699
14.933954
-1.039797
other
Mn16O24
40
33
450.16
mp-2414
9.14189
5.276549
-5.86403
other
S12O36
48
33
682.77
mp-29611
6.316761
0.27977
-3.382188
other
B40H64
104
33
1,050.29
mp-1080272
-4.25941
-4.990256
-3.421995
other
Ce4Se8
12
33
792.87