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-556905
13.918235
4.210215
-2.212492
other
Gd4Mg4B20O40
68
14
629.18
mp-555699
-3.480432
-1.893916
-5.398187
other
Ba4La4Bi8S24
40
14
1,051.03
mp-1212921
8.640437
5.862891
-6.139604
other
Gd4Tl4S8O36
52
14
806.16
mp-25903
14.600122
7.354698
-6.229306
other
Li16Cr4P8O32
60
14
698.91
mp-26085
14.582556
8.60507
-4.635987
other
Li12Mo8P12O48
80
14
954.87
mp-542782
8.37542
2.229508
-4.517547
other
H32C12N12O12
68
14
640.32
mp-1212268
11.105849
4.747523
-4.676925
other
K12P8H40O28
88
14
1,170.92
mp-703352
11.512484
5.001813
-5.102421
other
U4P8H24O28
64
14
813.85
mp-558638
11.555671
11.274193
-4.030363
other
Sm4Mo4O16F4
28
14
428.63
mp-704546
7.806915
10.044982
-3.819373
other
Rb8Na8Cr16O56
88
14
1,490.59
mp-759377
13.530314
6.033891
-7.596521
other
Li4Ti8P12O48
72
14
903.76
mp-1199029
11.217129
7.232747
-6.779233
other
Tl4P8H4O28
44
14
591.94
mp-705372
10.342723
7.900724
-6.732225
other
Li4Co4P20O60
88
14
1,241.94
mp-1203394
13.929065
7.289666
-7.149273
other
Li8Mn4P8O28
48
14
554.99
mp-687200
10.992901
7.86787
-7.269117
other
Li4Fe4P20O60
88
14
1,263.14
mp-556303
9.297674
7.21666
-3.329623
other
Cu2Bi4Se8O24
38
14
619.07
mp-1208919
8.596622
10.15244
1.829674
other
Sm4Mg2Pt2O12
20
14
246.21
mp-680377
-5.13383
-6.361095
1.699006
other
Rb48Sn32Ge4O16
100
14
3,744.15
mp-1042887
11.300027
7.664964
-4.328029
other
Ca4Ni4As8O28
44
14
595.34
mp-18086
11.501522
7.528006
-4.228161
other
Sr4Co4As8O28
44
14
636.17
mp-1197842
10.691016
4.051709
-6.461411
other
Gd4H4S4O20
32
14
362.11
mp-972112
10.500229
9.227871
2.478066
other
Sr4Mg2U2O12
20
14
284.02
mp-757673
14.553061
7.87195
-5.022493
other
Li4Ti4P8O28
44
14
490.23
mp-22020
7.791743
11.128463
0.576642
other
Ca4Ni2Os2O12
20
14
234.08
mp-1203105
9.698116
3.214943
-3.79912
other
U4H16Br8O16
44
14
716.75
mp-554859
-3.576862
-1.535107
-5.573051
other
K8Ge8Au8S24
48
14
1,310.25
mp-1212049
11.412519
11.136286
-3.647728
other
K8Mg8Mo12O48
76
14
1,276.78
mp-1195969
10.210385
3.170162
-3.894774
other
Ca8H112I16O56
192
14
2,461.54
mp-6091
12.868238
6.317087
-0.237185
other
Ba4Al8Si8O32
52
14
747.1
mp-1209674
8.733705
5.868635
-6.130007
other
Rb4Er4S8O36
52
14
795.75
mp-1196620
9.837263
10.714718
1.602437
other
Sr4La8W4O28
44
14
645.18
mp-707068
10.254584
2.759667
-3.318562
other
K4H32O16F4
56
14
605.07
mp-559300
13.173077
6.180089
-6.57143
other
K8Li8P16O48
80
14
1,087.74
mp-1192874
9.530041
4.817792
-6.04552
other
Na4Ag4S8O12
28
14
484.59
mp-12450
8.557388
10.47609
1.82955
other
Li2Nd4Os2O12
20
14
250.14
mp-867937
10.020577
6.37963
-3.20529
other
Ca8Si4B20O56
88
14
1,043.23
mp-12449
8.620513
10.540738
1.821153
other
Li2Pr4Os2O12
20
14
253.51
mp-1200792
12.969338
7.795573
-3.90311
other
Fe4P16C16O40
76
14
1,302.71
mp-1210534
9.80362
9.54431
-1.940333
other
Na4Ag4Te20O56
84
14
1,126.93
mp-1200951
-2.554664
-0.55182
-5.30416
other
Cs12Bi8P12S48
80
14
2,466.6
mp-1197940
11.114027
5.243394
-3.849779
other
Cs12Pu4H16O28
60
14
1,053.16
mp-23993
8.11123
1.527857
-4.247931
other
H16C4S4N8
32
14
407.81
mp-866666
2.949447
-0.613599
-1.853102
other
La16Mg8Ni16H64
104
14
1,085.12
mp-14551
10.459239
9.12366
2.55242
other
Sr4Ca2U2O12
20
14
312.88
mp-667281
6.088771
3.648788
-4.1085
other
S12N12Cl12O12
48
14
920.09
mp-1199799
7.665051
7.072207
-4.330595
other
Ca4U8Si8O68
88
14
1,398.1
mp-1196442
7.916885
7.475184
-4.297514
other
K4U4Se4O32
44
14
773.57
mp-757368
12.921487
7.608104
-7.228423
other
Li4Co4P4O16
28
14
345.86
mp-1019554
13.826906
4.166593
-2.191491
other
Ba4Na4B20O36
64
14
775.62
mp-1194668
8.105724
2.123451
-4.866277
other
Mg12H48C48O48
156
14
1,788.72
mp-22665
-3.438496
-1.405158
-5.610907
other
Ag4As4Pb4S12
24
14
587.89
mp-31972
11.636201
7.705966
-7.966873
other
Li12Mn4P8O32
56
14
572.91
mp-556635
9.251465
7.186162
-3.304508
other
Cu2Bi4Se8O24
38
14
570.29
mp-667292
13.017167
6.253855
-0.643823
other
K16Mg8Si40O96
160
14
2,445.54
mp-24079
13.177065
5.559032
-6.165989
other
Mg32P16H16O80
144
14
1,475.89
mp-1044195
7.21779
10.59307
-1.477734
other
Mn4Zn4Bi4O20
32
14
458.65
mp-558486
9.182041
7.214651
-3.584268
other
Fe4Cu6Se12O36
58
14
815.18
mp-638206
4.249627
2.845069
-4.210633
other
P12C4N16Cl28
60
14
1,385.56
mp-1208771
7.185062
6.741228
-4.067582
other
V4Te4N8O32
48
14
894.61
mp-12355
10.009704
9.883389
3.587443
original
Sr4Y2Ta2O12
20
14
280.76
mp-1040964
6.777462
9.679985
-1.519748
other
Zn4Cu8Bi8O32
52
14
762.3
mp-709021
10.747983
11.812269
2.039737
other
Ca8Ti16H16O48
88
14
963.11
mp-555888
7.942963
3.513825
-3.489719
other
C8S4O16F16
44
14
664.08
mp-773057
11.288534
7.958655
-7.853518
other
Li12Mn8P12O48
80
14
936.67
mp-768542
14.263396
4.992866
-2.493639
other
Li4Cr4B8O20
36
14
358.92
mp-1199833
-4.823936
-6.507068
1.474321
other
Cs40Tl24Si4O16
84
14
3,525.64
mp-1043529
14.155787
7.556045
-6.799385
other
Mg2Mn6P8O28
44
14
518.73
mp-1210559
11.029615
6.128861
-2.536144
other
Na8Eu8B8O28
52
14
657.97
mp-1367072
7.445121
12.014502
-0.98735
other
Zn4Cu2Ir2O12
20
14
206.16
mp-760097
8.810221
3.445001
-7.966114
other
Li8Mn8C8O28
52
14
615.94
mp-1987187
9.528781
5.057904
-6.867706
other
K6V4S8O36
54
14
862.65
mp-1199228
11.960133
7.546453
-6.826219
other
Fe6P4H4O20
34
14
373.24
mp-697905
3.124401
-0.676609
-2.031683
other
La8Mg16Ni8H56
88
14
852.32
mp-21913
12.592296
8.483721
-5.654035
other
Na8P8W8O48
72
14
961.57
mp-1199541
13.773327
4.238353
-2.396096
other
Na4B20Pb4O36
64
14
730.39
mp-1195827
9.020909
0.963894
1.409438
other
Sr4Li4Al4F24
36
14
449.26
mp-1180185
7.22543
7.734945
-3.831161
other
Mn2Fe4P4O36
46
14
672.58
mp-1177958
13.752818
5.649102
-2.781409
other
Li8Fe4B4O16
32
14
312.09
mp-1209224
9.66795
7.392555
-5.404947
other
Rb4Yb4P8O28
44
14
765.15
mp-1205399
9.497336
6.952047
-3.398686
other
Ba4Zn4Se8O24
40
14
689.63
mp-1105518
8.103581
11.384046
0.513896
other
Ca4Cr2Os2O12
20
14
258.52
mp-20222
9.954134
9.968439
3.237914
other
Sr4Nb2In2O12
20
14
278.62
mp-733572
8.965253
3.241792
-4.649484
other
Co4H56N20O36
116
14
1,081
mp-554572
13.626964
5.846825
-6.249587
other
K12Nb4P8O36
60
14
943.91
mp-1196302
8.512485
0.980338
-4.081159
other
Mn4Te16H72N24
116
14
1,694.09
mp-560949
9.220968
1.148617
1.157897
other
Ba4Li4Cr4F24
36
14
512.07
mp-554265
2.261653
2.623131
-4.347436
other
Zr4S4Cl24O4
36
14
1,198.77
mp-684539
13.97432
7.198668
-5.795076
other
Li12Sb8P12O48
80
14
1,114.16
mp-558842
11.908663
6.998947
0.278277
other
Sm28B4P8O68
108
14
1,466.77
mp-1181805
7.192087
7.55914
-3.481759
other
Co2Ge2O12F12
28
14
390.09
mp-757630
12.756406
7.610135
-7.353573
other
Li12Co12P12O48
84
14
1,036.17
mp-1203471
5.673572
3.358925
-4.637279
other
Co8Hg4C32O32
76
14
1,356.59
mp-1106050
8.152991
7.265236
-2.551371
other
Na2Sr4I2O12
20
14
271.12
mp-1291802
11.575217
11.812444
-1.417333
other
Zn4Fe2W2O12
20
14
223
mp-6744
-2.683026
-0.635742
-5.320232
other
K4Fe2P4S12
22
14
568.34
mp-867684
10.746922
7.822541
-6.95945
other
Li4Ni4P16O48
72
14
952.17
mp-1214116
10.043761
9.939054
3.514407
other
Ca4Y2Nb2O12
20
14
270.79
mp-1208543
8.314946
10.758385
1.501493
other
Tb4Co2Pt2O12
20
14
238.74
mp-1200709
13.265904
5.985945
-6.83996
other
Na4Tb4P16O48
72
14
943.22
mp-738624
11.635404
4.481535
-4.799218
other
Sm4P8H36O44
92
14
928.33