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-704210
10.967793
8.692682
-5.915425
other
Mo12P24O96
132
14
1,919.04
mp-1202303
7.586353
4.355268
-5.752546
other
Sr4C12O24
40
14
562.47
mp-1197431
8.346743
7.793396
-4.240532
other
Zn16As8O48
72
14
1,106.33
mp-27550
9.922843
11.94165
-3.762438
other
V8Cu20O40
68
14
836.45
mp-753699
9.483205
8.285835
-0.88433
other
Bi8O10F4
22
14
444.78
mp-1205446
8.854185
8.33716
-1.682387
other
Hg32Br12O16
60
14
1,394.12
mp-530455
7.724314
11.768842
2.162242
other
La24Mn22O72
118
14
1,484.46
mp-769535
14.272082
9.175186
-2.6237
other
V12P8O32
52
14
662.05
mp-667742
7.834505
2.261075
-1.306886
other
Sb16Se80F96
192
14
4,614.85
mp-1214684
1.097875
1.559283
-5.071469
other
Ba8Ho4Cl28
40
14
1,131.16
mp-560132
11.749456
7.21064
0.823318
other
Nd8Si4O20
32
14
442.75
mp-755171
7.535511
9.529864
-3.648847
other
Cr4Ag4O16
24
14
394.02
mp-4092
9.112142
6.686627
-3.784533
other
Sr4Se4O16
24
14
350.33
mp-1209293
-2.313783
-2.180239
-5.494726
other
Pr4S4Br4
12
14
350.48
mp-1180411
8.962075
6.150627
-3.640705
other
Na8B16O44
68
14
896.84
mp-29850
1.311442
2.102432
-5.190127
other
Na6Ti2Cl12
20
14
478.02
mp-1349740
9.025306
11.123101
-4.028053
other
V8Cu8O32
48
14
637.04
mp-755061
-1.181283
2.021121
-1.940819
other
Sr4Ca4I16
24
14
1,153.37
mp-1102937
3.796646
3.436158
-3.832456
other
Br4N4O4
12
14
266.39
mp-1003770
8.882421
14.798972
-0.387113
other
Mg4Mn8O16
28
14
313.47
mp-1047047
14.549816
8.139026
-3.875504
other
Ti6P8O28
42
14
526.5
mp-763229
14.819155
12.35996
-0.840189
other
V8O8F8
24
14
276.35
mp-772812
11.59899
7.604039
0.733812
other
Lu8Ge4O20
32
14
409.6
mp-759647
9.082796
2.674303
0.739479
other
Li4W4F24
32
14
429.54
mp-757089
7.344013
6.981122
-3.434608
other
Li4I4O16
24
14
397.91
mp-17512
8.551002
1.700948
-0.649663
other
Zn2Au4F16
22
14
306.09
mp-1202004
8.875025
7.687904
-5.080273
other
Hf4P8O36
48
14
716.51
mp-1195363
-0.462484
1.135946
-4.521225
other
Rb12Bi8Br36
56
14
2,147.58
mp-1201724
7.514271
7.302137
-4.048844
other
Cd4Se8O36
48
14
752.39
mp-28349
8.339542
4.094303
-4.636817
other
H16N8O16
40
14
371.25
mp-560561
9.315824
7.511196
-3.353166
other
Cu8Se4O16
28
14
350.83
mp-752407
11.751597
7.294689
0.212451
other
Dy4Ge4O14
22
14
305.42
mp-560097
10.162904
9.327844
-1.938332
other
Ca12Te12O36
60
14
1,069.21
mp-849527
9.222879
8.561053
0.071578
other
Rb12In4O12
28
14
623.42
mp-768372
10.818279
9.332661
-0.472345
other
Sb12Br12O12
36
14
894.91
mp-1209189
-0.155629
1.01649
-4.012353
other
Rb4Sr8Br20
32
14
1,066.3
mp-1205238
12.489926
7.974422
-7.984635
other
Mn32P16O80
128
14
1,509.73
mp-1042861
8.972664
7.994998
-4.506552
other
Fe4As8O28
40
14
620.25
mp-777833
12.074351
1.204556
2.587488
other
Fe10O4F16
30
14
373.49
mp-29234
-5.836473
-2.884235
-2.281886
other
In4Te4I4
12
14
501.89
mp-1214625
1.119648
1.581526
-5.115391
other
Ba8Tm4Cl28
40
14
1,122.52
mp-1202580
10.671566
11.684324
-4.042294
other
Ta8V8O40
56
14
916.99
mp-540629
1.57516
2.322946
-4.935203
other
Al8Te8Cl28
44
14
1,384.37
mp-23355
2.301603
2.638613
-4.614855
other
P4Au4Cl16
24
14
678.8
mp-1191616
7.951904
7.546763
-4.081723
other
Mn4Se4O16
24
14
381.78
mp-753444
-3.724904
-1.510439
-5.500413
other
Li12Bi4S12
28
14
589.08
mp-554137
13.018373
6.798516
-0.600071
other
Mg8Si8O24
40
14
441.38
mp-772811
11.748271
7.233525
-0.894759
other
Na8Ge8O20
36
14
504.72
mp-558610
11.551373
10.830399
-0.186402
other
Sc2Re4O12
18
14
202.84
mp-554440
9.281726
7.354216
-3.538824
other
Cu8Se8O24
40
14
537.16
mp-1106326
-5.631563
-2.021147
4.341704
other
Er4Si8Mo6
18
14
296.72
mp-1211362
6.408984
0.356693
-3.552032
other
Li4B24H24
52
14
484.89
mp-766979
13.926482
7.39272
-4.774975
other
Sn16P8O36
60
14
948.71
mp-9682
-4.687818
-3.142017
-3.947332
other
Na12Al4Se12
28
14
704.76
mp-30287
-2.498132
-0.575493
-5.213496
other
Lu4P4S16
24
14
578.94
mp-753985
14.524739
8.797399
-3.48332
other
V4P4O14
22
14
255.46
mp-1245764
1.234086
2.339707
1.364784
other
Li12Os4N8
24
14
368.44
mp-4246
8.738229
1.274868
-0.017755
other
Li8Tb4F24
36
14
385.67
mp-555064
8.517691
3.651202
-6.432227
other
Cd2C4O8
14
14
176.65
mp-725221
4.116992
2.946859
-3.665322
other
C4N16Cl4
24
14
623.53
mp-28975
-4.022928
-2.440109
-3.440499
other
Bi8P12Se36
56
14
1,565.72
mp-726750
4.602154
3.091263
-4.066492
other
Pb4S8N8
20
14
608.03
mp-1190287
8.253627
3.844634
-6.445189
other
Li4C4O8
16
14
169.06
mp-760185
9.017916
3.029757
-0.113112
other
W8O8F32
48
14
825.77
mp-4816
-2.951005
-2.224301
-5.840251
other
La12Ga12S36
60
14
1,399.39
mp-1198676
8.563588
8.956701
-0.193779
other
Cs16Fe4O14
34
14
841.98
mp-684096
10.893955
7.370113
-6.574395
other
Bi4P16O48
68
14
1,064.68
mp-1225883
7.190908
6.079444
-4.397765
other
K12P12O40
64
14
1,357.98
mp-752470
12.474784
0.984464
2.406617
other
Fe8O4F12
24
14
292.58
mp-1197879
9.079084
6.16222
-3.784044
other
Na8B16O44
68
14
993.96
mp-768685
8.544888
9.294592
-0.226282
other
Rb20Fe4O16
40
14
885.38
mp-1209033
8.029432
3.164444
-1.405336
other
Se8O16F16
40
14
761.86
mp-26194
11.441524
8.874181
-5.793937
other
Mo8P12O52
72
14
1,032.81
mp-3975
8.585122
1.468928
0.983231
other
K8Ta4F28
40
14
618.59
mp-760353
9.145445
1.05299
-0.518147
other
Li4Cu8F28
40
14
485.49
mp-1247107
1.864878
1.886767
1.348984
other
Ca8Mg4N8
20
14
323.74
mp-734013
6.869178
6.074913
-3.229083
other
Na4Br4O8
16
14
343.6
mp-14673
8.125857
2.120578
-0.740817
other
Sb36S16F156
208
14
3,715.88
mp-1212110
1.274197
2.348156
-5.376598
other
In4Sn8Cl20
32
14
927.69
mp-1213989
8.693528
7.588156
-4.413533
other
Ca4P4O16
24
14
302.04
mp-768295
-1.252757
1.946427
-1.630765
other
Ba8Y4I28
40
14
2,156.13
mp-27653
3.433989
-0.630923
-2.486712
other
Li4Al4H16
24
14
277.98
mp-1202518
6.323885
5.509735
-4.413865
other
Th4N12O56
72
14
1,185.9
mp-1225955
-3.290144
-3.70101
0.397001
other
Cu8P56I8
72
14
1,573.88
mp-780326
7.537481
6.564658
-3.132667
other
Ni4I8O24
36
14
552.4
mp-1181749
6.735252
5.287384
-4.547241
other
Cu2C4O16
22
14
463.24
mp-15437
13.102216
6.55344
-6.837296
other
Mg4P16O44
64
14
825.59
mp-768735
-1.262273
1.930786
-1.582257
other
Ba8Sr4I24
36
14
1,640.09
mp-27275
13.757494
5.63759
-2.430851
other
Li12B4O12
28
14
238.31
mp-757367
11.718479
7.949238
-7.130358
other
Fe14P8O40
62
14
732.82
mp-772972
10.543995
12.028301
2.007504
other
Li8Ti8O20
36
14
495.55
mp-3855
8.90028
0.919662
1.446728
other
Na8Be4F16
28
14
334.6
mp-5766
-3.412769
-2.23685
-5.253679
other
Ce4Cu4S8
16
14
322.45
mp-29565
-5.441282
-4.22797
5.291085
other
Pr8Si8Pd8
24
14
506.16
mp-1346390
9.16605
2.372222
1.486704
other
Ca4W4F20
28
14
465.74
mp-772202
14.633472
8.276372
-4.567501
other
Cr16P8O36
60
14
731.33
mp-1214707
7.244805
6.368881
-4.344316
other
Be8As4O36
48
14
710.63
mp-857358
10.127631
2.191968
2.060683
other
Li8V2F12
22
14
229.82
mp-725059
7.567532
6.334255
-2.833752
other
Ca2I4O8
14
14
270.18
mp-1191168
3.472936
-0.585373
-2.617862
other
Mg4Ga4H16
24
14
332.13