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-759596
12.616671
6.518618
-6.237333
other
Li4Bi4P8O28
44
14
609.84
mp-1343267
10.46247
11.973261
-1.968893
other
Zn4Cu2W2O12
20
14
220.83
mp-1212785
8.570403
10.796766
1.39671
other
Gd4Ni2Ru2O12
20
14
237.67
mp-757576
13.855151
8.237403
-6.47528
other
Li12P8W4O36
60
14
697.36
mp-776381
13.6603
8.75758
-6.719646
other
Li8V8P8O40
64
14
835.47
mp-555570
9.524016
7.02593
-3.492069
other
Ba4Cu4Se8O24
40
14
624.08
mp-1208862
13.929947
4.265719
-2.171947
other
Sm4Mg4B20O40
68
14
632.64
mp-778977
8.367639
2.018404
-0.76632
other
Ca4As8H4F52
68
14
957.66
mp-616232
7.75303
9.916942
-3.669034
other
Tl4Cr16Bi4O56
80
14
1,273.36
mp-1208364
11.988207
7.237685
-0.292278
other
Tb4Al4Ge8O28
44
14
531.95
mp-16856
14.287028
8.146436
-5.107204
other
Rb4Mo4P8O28
44
14
635.6
mp-1194816
9.512806
1.621272
-4.054092
other
V4H36N12F12
64
14
593.66
mp-1293130
9.024676
14.489165
-0.685375
other
Li4Mn6Sb2O16
28
14
321.34
mp-1210924
7.632944
10.656281
1.445624
other
Li2Tb4Ru2O12
20
14
233.94
mp-1211494
8.46359
1.018104
1.854152
other
K4Li4Ho4F20
32
14
451.08
mp-24207
8.560121
2.104165
-4.47997
other
H24C4N16O4
48
14
405.12
mp-19061
12.031685
7.245517
-1.840903
other
Li4Fe4Si8O24
40
14
430.67
mp-1197452
5.384147
3.209866
-3.637071
other
Ni4P4C20O8
36
14
910.52
mp-554843
10.931046
9.226615
2.22961
other
Sr4U2Mn2O12
20
14
293.79
mp-758479
13.728146
8.486865
-5.859063
other
Li4P8W4O32
48
14
647.17
mp-765146
8.615039
3.565323
-7.581005
other
Li20V4C16O48
88
14
899.7
mp-1213515
8.040399
3.24787
-4.686089
other
H40C8N72O32
152
14
1,645.39
mp-561355
2.24499
2.708263
-4.335306
other
Ti4S4Cl24O4
36
14
1,048.48
mp-863426
11.678572
7.683635
-8.025495
other
Li6Mn2P4O16
28
14
287.31
mp-766038
12.842495
8.430509
-2.194162
other
Li16V8Si8O40
72
14
742.36
mp-505688
10.928161
8.821063
-6.545251
other
V4P4Pb4O24
36
14
486.99
mp-1519604
10.449193
10.9963
0.934295
other
Sr4Eu2W2O12
20
14
301.16
mp-1041420
5.987047
11.224907
-1.702306
other
Zn4Fe8Cu8O32
52
14
634.92
mp-559207
13.566274
6.619415
-6.611604
other
Rb8Mn4P16O48
76
14
1,182.6
mp-1195817
6.276447
5.089012
-4.431862
other
Ag8Pd4N16O32
60
14
831.53
mp-764171
12.223508
9.236688
-7.564727
other
Na4V8P12O48
72
14
902.21
mp-707483
12.307906
5.333427
-5.525395
other
Ti4P8H16O36
64
14
645.63
mp-770704
8.919751
12.379616
-0.679604
other
Li8Al4Fe4O16
32
14
362.63
mp-1194831
13.559382
4.398167
-2.784214
other
Mn2B24H20O48
94
14
896.14
mp-1209542
-2.68007
-0.637029
-5.240376
other
Rb4Ni2P4S12
22
14
572.14
mp-1047811
13.677946
7.939513
-0.850593
other
Be12Si12Mo8O48
80
14
895.8
mp-1204602
9.75792
7.964779
-4.127515
other
In4As8Pb4O32
48
14
698.01
mp-19014
10.119947
11.301558
0.732136
other
Sr4Cd2W2O12
20
14
273.3
mp-540996
13.240911
5.413253
-1.510266
other
Nd4Ge4B4O20
32
14
390.12
mp-1203205
8.150305
9.118591
-3.691891
other
Cs4Mg2Mo4O24
34
14
678.42
mp-645799
13.24184
7.481852
-6.063551
other
V4P8Pb8O36
56
14
800.8
mp-728012
10.006182
4.980453
-4.272852
other
Co4H16Se4O20
44
14
560.94
mp-1217726
11.066133
11.086425
1.300565
other
Tb4V2Fe2O12
20
14
235.08
mp-557875
12.90042
5.777238
-6.12233
other
Rb24In8P16O64
112
14
1,938.49
mp-696780
11.87936
4.822445
-4.84305
other
Fe2P4H16O20
42
14
422.65
mp-1378636
7.956568
12.735054
-0.356455
other
Mg4Mn2Ir2O12
20
14
206.77
mp-1178046
8.304713
3.861008
-7.417516
other
Li8Co4C8O24
44
14
561.18
mp-1048260
13.69858
7.413208
-6.917749
other
Mn4Zn4P8O28
44
14
521.01
mp-1192549
-4.802458
-3.235341
-3.814065
other
Ba4U2Cu8Se12
26
14
615.64
mp-703528
12.139747
4.923916
-5.194353
other
Rb4P4H8O16
32
14
441.94
mp-1188812
7.658278
11.446398
1.901345
original
La4Mn2Ni2O12
20
14
240.37
mp-764774
10.457187
12.198674
-3.877039
other
Li4Ti8V12O48
72
14
1,041.73
mp-1195562
9.959328
4.544819
-6.395992
other
Rb4H4S8O28
44
14
696.54
mp-1181662
9.948103
3.681566
-4.196316
other
Cu8H12Cl4O12
36
14
382.85
mp-555338
11.134353
8.818213
-5.46874
other
Ba2Mo4P4O24
34
14
480.89
mp-17465
9.431459
7.074873
-3.514545
other
Gd4Cu2Se8O24
38
14
586.6
mp-23780
10.351525
4.241422
-6.722304
other
Na12H4S8O32
56
14
751.37
mp-1105304
8.032387
11.104354
0.968866
other
Ca4Fe2Os2O12
20
14
236.3
mp-1213776
-2.742479
0.597166
-3.896851
other
Cs6Re12S16Cl12
46
14
1,314.01
mp-17836
9.667822
8.567658
2.84924
other
Ba4Nd8Be4O20
36
14
497.84
mp-850293
10.672194
4.227325
-4.867411
other
Al8H64S12O80
164
14
1,584.37
mp-1197993
8.144588
2.043545
-1.098904
other
Cs4U4O12F12
32
14
681.81
mp-1211170
13.046493
5.266522
-0.515372
other
Li4Ho24B12O56
96
14
1,155.77
mp-1225231
11.315353
10.998991
1.150303
other
Gd4V2Fe2O12
20
14
237.95
mp-23100
5.914489
8.493287
-0.116923
other
Sr4Lu2Bi2O12
20
14
298.36
mp-1209914
8.401987
10.283997
1.631721
other
Nd4Zn2Pt2O12
20
14
254.13
mp-559383
13.669509
5.27455
-6.657388
other
Rb4Lu4P8O28
44
14
706.81
mp-757946
13.954295
6.963682
-5.978922
other
Li8Sn4P8O28
48
14
635.79
mp-1041087
10.556395
11.982779
2.412299
other
Ca4Ta8Cu8O32
52
14
774.93
mp-1211480
8.647685
1.085236
1.777174
other
K4Li4Lu4F20
32
14
410.13
mp-776601
13.604142
4.346142
-2.439974
other
Li12Fe4B32O60
108
14
1,270.9
mp-726258
10.862329
7.130347
-4.972045
other
P16Pt4Br4O40
64
14
4,621.87
mp-752833
9.067406
1.756176
-3.424763
other
P4H8N4F8
24
14
311.54
mp-14648
13.256198
5.317556
-6.469463
other
Na12Zn12P12O48
84
14
1,055.78
mp-558012
12.939091
6.561511
-6.722449
other
Ba8Cu4P24O72
108
14
1,549.33
mp-698476
6.300414
2.261437
-3.744265
other
H16C24N32Cl16
88
14
1,254.62
mp-727060
4.49833
2.854492
-3.607589
other
Zn4C16N8Cl16
44
14
1,238.56
mp-728499
6.512454
5.332187
-4.372473
other
Te4S16N8O24
52
14
1,405.39
mp-857359
14.328769
7.595828
-7.018066
other
Li4Mn4P4O16
28
14
317.66
mp-1179115
7.544624
7.626464
-4.144378
other
Tl8Te4S4O40
56
14
785.95
mp-559139
8.348858
1.455355
-4.41072
other
H32C12N8O4
56
14
479.77
mp-643829
12.601105
6.261033
-1.727787
other
Al4Si4H4O16
28
14
222.07
mp-772286
14.778267
7.809663
-5.475643
other
Li12Fe12P12O48
84
14
1,070.52
mp-26847
10.282079
8.053939
-6.843379
other
Li4Co4P8O28
44
14
540.7
mp-1227483
7.913565
10.831795
1.002118
other
Ca8Mn4Sb4O24
40
14
484.95
mp-722348
12.114855
5.024573
-5.174089
other
Rb4P4H8O16
32
14
475.43
mp-1195109
13.15613
6.173848
-6.600587
other
Ho4P16H4O48
72
14
950.32
mp-648263
5.653775
3.257562
-4.731691
other
Os16C52S8O52
128
14
2,271.99
mp-1212560
8.206841
2.358611
-4.696123
other
H20C4N28O8
60
14
623.7
mp-770287
14.196928
5.286311
-2.333464
other
Li12Sn4B8O24
48
14
515.02
mp-704467
11.497684
9.617622
-0.432622
other
Rb16U16W8O80
120
14
2,256.76
mp-1201744
7.941088
6.727026
-4.701544
other
Fe8P8N4O44
64
14
1,002.49
mp-1581648
13.425371
5.47641
-3.027129
other
Li4Co4B4O12
24
14
268.12
mp-720765
9.891203
4.19187
-5.122222
other
H12S4N4O16
36
14
364.14
mp-1196735
11.818574
4.661511
-4.935088
other
Nd4P12H40O56
112
14
1,216.55
mp-17679
13.851033
6.075215
-6.576705
other
Rb4Nb4P8O32
48
14
788.33
mp-1213462
12.148863
6.648129
0.074328
other
Dy28B4P8O68
108
14
1,372.92
mp-704306
11.516888
9.764258
-1.053912
other
K8U8Mo4O40
60
14
1,068.5
mp-23595
12.377569
7.015813
-5.203053
other
Co4Bi4P4O20
32
14
425.14
mp-570489
2.377635
2.645175
-4.485369
other
Ta4P4N4Cl28
40
14
1,210.05