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-29282
11.362293
7.85157
-6.646644
other
P8Pt4O28
40
14
487.95
mp-866869
-3.391851
-1.716908
-5.645103
other
Ca12Sn8S28
48
14
1,205.68
mp-554186
8.512753
10.798295
1.653004
other
La8Ni8O20
36
14
468.19
mp-540914
8.632483
9.926562
0.567162
other
K12Mn4O12
28
14
505.34
mp-560572
11.687658
4.167033
-3.854199
other
Al8H24O24
56
14
426.87
mp-770494
-1.215146
2.095419
-2.378859
other
La4Mg4I20
28
14
1,376.14
mp-1210099
7.707722
7.075019
-4.199105
other
U8Br8O40
56
14
1,211.96
mp-768459
10.385746
4.396853
-7.010474
other
Ti8S12O48
68
14
910.04
mp-1197571
5.690706
5.391929
-3.989083
other
Sn4Cl12O16
32
14
860.91
mp-1198603
11.594632
5.648817
-2.733107
other
Ba8B20O44
72
14
910.73
mp-1020014
13.747848
4.221836
-2.402071
other
Li12B44O72
128
14
1,374.33
mp-770815
9.038177
8.506036
0.11703
other
Cs12Y4O12
28
14
752.01
mp-1211759
8.12736
1.086525
0.60114
other
K6Yb2F12
20
14
387.45
mp-1189694
2.687479
2.989928
-4.138734
other
Au4N4Cl12
20
14
543.4
mp-29129
10.217693
9.122774
-1.94734
other
K8Te8O20
36
14
642.09
mp-25231
9.274136
8.055321
-2.927819
other
Fe4Si8O24
36
14
418.66
mp-1204052
8.064845
6.224615
-5.297877
other
Se8S8O28
44
14
756.39
mp-1198566
7.805739
7.611026
-4.433588
other
Cu16S4O40
60
14
722.19
mp-5282
8.139235
3.817187
-6.189723
other
Ag4C4O8
16
14
224.74
mp-1211966
1.199432
2.155271
-5.701496
other
K12Gd4Cl24
40
14
1,210.25
mp-28532
-0.473071
1.358794
-4.466637
other
Cr4In4Br12
20
14
617.05
mp-1120790
9.726213
2.056978
1.557454
other
Na8V4F20
32
14
401.94
mp-554272
-4.65626
-1.439965
-5.676846
other
Cu24Sb8S24
56
14
1,079.72
mp-759779
13.905173
7.406673
-6.292519
other
Fe4P16O44
64
14
897.81
mp-1214801
1.190577
2.01457
-5.436533
other
Ba8Yb4Cl28
40
14
1,112.31
mp-1212782
7.886833
6.345213
-4.578302
other
In4P4O24
32
14
475.42
mp-29808
2.09013
1.823681
1.438947
other
Ca16Ge4N16
36
14
557.99
mp-765191
8.605224
1.041979
-0.396431
other
Li4Ag4F16
24
14
309.85
mp-27378
4.2303
2.998845
-3.815907
other
S16Br12N12
40
14
1,121.22
mp-1346936
9.420714
0.608836
-0.08769
other
Ca4Co4F20
28
14
405.65
mp-772323
7.730512
9.94158
-3.910735
other
Li8Cr16O52
76
14
1,215.83
mp-780181
7.681419
9.883835
-3.822195
other
Na8Cr16O52
76
14
1,248.6
mp-1196657
12.641545
13.169248
-1.109404
other
Yb4V16O32
52
14
588
mp-560925
9.526604
0.520914
0.563149
other
Na10Fe6F28
44
14
591.63
mp-628583
4.640311
2.249534
-3.062479
other
Na4C8N12
24
14
355.79
mp-554546
12.242579
7.78478
0.126469
other
Eu8Si4O16
28
14
387.51
mp-556383
8.050065
2.6539
-2.162363
other
P20C20F60
100
14
1,668.35
mp-1208969
10.67402
8.218637
2.369775
other
Sm16Al8O36
60
14
870.1
mp-779737
13.714019
5.538641
-6.875457
other
Ho8P16O52
76
14
1,139.79
mp-1212150
9.720285
10.926795
-3.054352
other
Ho4W4O20
28
14
416.39
mp-1214793
-5.613346
-2.083557
-1.052403
other
As4Os4S4
12
14
197.09
mp-8194
-3.413218
-4.469237
0.911937
original
Ba8Ge4P8
20
14
606.67
mp-1369804
9.430897
0.881981
-0.33657
other
Zn4Cu4F20
28
14
320.22
mp-14561
-5.593504
-3.005335
5.709557
other
Ba4Si8Ir8
20
14
413.98
mp-1208880
11.814149
7.095554
0.723608
other
Sm8Si4O20
32
14
424.2
mp-683974
9.505219
6.846146
-3.658812
other
Pr24Se36O108
168
14
2,631.66
mp-1208524
6.956698
7.45957
-3.52362
other
Tb4I4O36
44
14
619.42
mp-1196798
8.712269
14.323945
-1.651292
other
Mn14As4O32
50
14
592.44
mp-1042385
9.582889
7.955292
-4.255711
other
Bi4As8O28
40
14
723.74
mp-532156
-0.507087
1.215909
-4.444826
other
Hg56Sb32Br48
136
14
4,692.48
mp-1201092
7.970182
7.017804
-4.818337
other
Bi8S4O28
40
14
572.45
mp-570607
-1.074024
1.297755
-1.670979
other
Dy20C8I36
64
14
2,318.29
mp-22697
12.287367
7.516631
-6.922552
other
Ni6P4O16
26
14
273.99
mp-1212297
8.066273
7.128446
-3.900842
other
K4Se8O24
36
14
638.11
mp-1211663
1.119842
1.889248
-5.310928
other
K4Gd8Cl28
40
14
1,148.2
mp-28892
8.752818
1.386814
-4.024126
other
P12H48N36
96
14
874.1
mp-505734
10.667407
7.607642
-0.337734
other
Cs24Si12O36
72
14
1,553.63
mp-24172
10.081563
4.771171
-5.372835
other
H8S4O16
28
14
287.76
mp-571415
-4.148502
-2.705246
-3.403872
other
Ba12P8Se32
52
14
1,594.26
mp-1179598
9.918305
9.84801
-1.857927
other
Sb16Te16O72
104
14
1,591.65
mp-1195255
-4.799171
-2.855144
-3.573749
other
Ba8Fe6Se20
34
14
929.43
mp-1104034
8.239439
4.180558
-6.436503
other
Ni2C4O8
14
14
142.63
mp-1189809
9.369629
6.738494
-3.215927
other
Ca4B4O12
20
14
265.85
mp-766234
12.032729
8.463148
-6.027596
other
P8W4O32
44
14
699.29
mp-1195659
9.420332
6.981838
-3.446575
other
Th4Se8O24
36
14
554.7
mp-606313
8.451275
3.485877
-1.39814
other
Cr4O8F8
20
14
288.58
mp-705435
11.080766
11.044137
-4.019184
other
Fe16Mo24O96
136
14
2,366.25
mp-26628
13.487733
8.804218
-5.660264
other
Mo4P8O28
40
14
500.93
mp-17282
-4.092145
-4.002482
-3.509282
other
Sr4Th8Se20
32
14
884.39
mp-1198151
8.041145
9.221925
-3.733848
other
Yb4Re12O64
80
14
1,413.55
mp-540940
-4.536469
-3.072236
-3.894745
other
Ti4Tl16Se16
36
14
1,145.42
mp-760009
10.080596
1.606669
1.625469
other
Li20V4F32
56
14
599.71
mp-1200484
8.909881
7.500952
-4.797821
other
Na12P8O32
52
14
717.47
mp-1202222
9.972748
8.216092
-6.859242
other
Co12P8O36
56
14
644.29
mp-556745
8.375516
3.628089
-6.370111
other
Tl4C4O8
16
14
280.13
mp-13195
9.773355
9.527649
1.162614
other
Nd4Sb4O16
24
14
319.11
mp-1246992
1.585214
2.273021
2.035686
other
Fe4Ge4N8
16
14
197.03
mp-608357
6.760942
9.863063
-2.16334
other
Mn4Ag4O16
24
14
339.25
mp-752978
12.455162
-1.048944
0.973158
other
Mn6O4F8
18
14
219.3
mp-1192586
8.497654
1.324498
1.678534
other
Th4Tl4F20
28
14
458.9
mp-1179431
7.314997
6.34384
-3.163603
other
Sr4Cr4O16
24
14
474.02
mp-645709
10.310355
4.598302
-6.709794
other
Sn4S4O16
24
14
347.05
mp-17649
8.603249
1.679804
-0.234827
other
Tl4Sn4F28
36
14
504.27
mp-561093
7.847344
10.071073
-3.808482
other
Rb8Cr8O28
44
14
793.9
mp-1245473
0.498539
2.541482
1.831046
other
Mn36Ir8N36
80
14
818.94
mp-753604
9.789559
1.928409
-0.065754
other
Li2V2F12
16
14
191.75
mp-760059
9.571347
8.496083
-0.607597
other
Bi20O28F4
52
14
1,031.83
mp-1102688
-4.383455
-3.744915
-2.730584
other
Pr4Sb4Se4
12
14
331.97
mp-27748
5.829343
-0.079582
-3.101468
other
Be4B24H56
84
14
818.81
mp-1208844
-2.447438
-2.213543
-5.453204
other
Sm4S4Br4
12
14
330.81
mp-1196923
8.565039
1.317699
0.001199
other
Li8Tb4F24
36
14
438
mp-16194
11.18187
7.10944
-0.512398
other
Rb24Si12O36
72
14
1,356.48
mp-1210600
3.448596
-0.598123
-2.639349
other
Mg4Ga4H20
28
14
365.65
mp-849562
9.43489
11.810147
-3.971321
other
Mn8V12O48
68
14
966.06
mp-863417
6.903969
12.766146
-1.628082
other
Co4Ni8O16
28
14
281.3
mp-1200610
-5.871663
-3.562243
-1.770554
other
Cs16Ge4Te24
44
14
2,063.79
mp-756020
8.430905
9.653592
-0.069482
other
Rb12Fe4O12
28
14
568.29
mp-777775
10.420138
3.649131
-4.168089
other
Ag4H56O32
92
14
805.67
mp-558007
7.622236
6.591099
-3.073968
other
Sm4I12O36
52
14
812.71
mp-28073
11.130234
9.328627
0.569682
other
U2Cu2O8
12
14
161.53