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-1303223
6.617934
13.522286
-1.323122
other
Li6Ti2Ni6O16
30
15
284.52
mp-780532
8.517555
13.589457
-0.535472
other
Li8Fe4O8F4
24
15
225.94
mp-1212613
8.311925
2.354306
-4.69357
other
H20C4N24O10
58
15
605.27
mp-1282789
6.1504
12.939155
-1.456938
other
Li8Mg2Ni6O16
32
15
278.54
mp-1209152
10.982297
10.989822
-3.651039
other
Rb2Sm2Mo4O16
24
15
343.82
mp-768446
11.634373
8.149887
-8.267161
other
Li2Mn6P6O24
38
15
447.5
mp-1200940
1.989387
2.699395
-4.524152
other
Mo12N4Cl28O2
46
15
1,327.56
mp-1333984
12.54987
7.484233
-6.998525
other
Ca4Co8P8O32
52
15
646.7
mp-18255
13.193702
6.00186
-6.658151
other
Rb2Sm2P8O24
36
15
523.6
mp-1043493
12.958486
8.126452
-0.938861
other
Mg4Fe4Ge8O24
40
15
464.78
mp-1260235
12.53288
6.757245
-0.961079
other
Zn6Si8Bi4O28
46
15
628.4
mp-6333
12.765573
6.265892
-0.744033
other
Na2In2Si4O12
20
15
242.56
mp-19367
13.070745
7.009794
-1.062447
other
Na2Cr2Si4O12
20
15
209.81
mp-1663413
12.204646
7.399348
-7.366568
other
Li4Ni4P4O16
28
15
354.42
mp-1258846
12.233297
7.041167
-1.617348
other
Mn4Zn6Si8O28
46
15
540.9
mp-1048464
11.705875
11.858822
1.800992
other
Mg4Nb4Fe2O16
26
15
303.94
mp-1178622
8.136959
3.249924
-1.776435
other
Zr2Cu4O24F16
46
15
679.71
mp-761011
10.788356
8.92048
-7.370741
other
Li6V6P16O58
86
15
1,158.07
mp-1042942
13.147109
8.548488
-0.910053
other
Ti2Zn2Ge4O12
20
15
233.41
mp-1192732
9.102282
6.844968
-3.567229
other
Cs6H2Se4O16
28
15
589.55
mp-1191167
6.489937
6.276474
-3.485631
other
Rb2Mg2Br6O12
22
15
499.22
mp-768404
8.25522
13.368189
-0.792603
other
Li16Ti4Cr4O24
48
15
429.19
mp-1211316
10.70101
12.263186
-3.655342
other
K2V4Ag2O12
20
15
317.01
mp-757082
12.655183
6.490168
-0.936094
other
Li4Si12Bi4O32
52
15
711.08
mp-584450
10.916102
7.902112
-7.276718
other
Li18Co6P16O58
98
15
1,146.28
mp-1212741
13.113335
5.168768
-2.455982
other
Eu2Al6B8O24
40
15
378.28
mp-581115
-3.578813
-0.975541
-5.324795
other
K6Nb4Ag6S16
32
15
934
mp-1192718
8.995461
2.659786
-4.142499
other
Sb2H10Cl12O4
28
15
545.24
mp-1541018
13.277003
6.448301
-7.412629
other
Ti2P2O8F2
14
15
176.38
mp-555087
1.761375
1.619522
-4.596658
other
Ba10Si2Cl12O8
32
15
809.74
mp-551544
7.408101
10.754619
0.828164
other
Ca12Co4Rh4O24
44
15
539.19
mp-760869
6.567005
13.956171
-1.42338
other
Li6Co2Ni4O12
24
15
209.9
mp-1209155
11.449014
11.45145
-2.167195
other
Sc2Cu2W4O16
24
15
286.15
mp-758467
14.239689
7.909769
-5.321913
other
Li2P8W2O24
36
15
487.78
mp-23781
10.296453
4.312749
-6.587353
other
Rb6H2S4O16
28
15
432.7
mp-558327
10.578108
4.612657
-6.860301
other
Li4V4S6O24
38
15
468.4
mp-1177609
11.044
8.240123
-7.980903
other
Li6Mn10P12O48
76
15
1,059.7
mp-755443
9.682701
14.410918
-0.316736
other
Li4Mn2Cr2O8
16
15
150.14
mp-1214477
9.24789
0.746185
0.655101
other
Ba4Cd4Fe4F28
40
15
593.41
mp-699317
8.53695
2.989592
-5.101997
other
Na4H12C8O14
38
15
390.31
mp-1192364
8.233516
2.259829
-0.984105
other
Hg2Te4O4F20
30
15
529.46
mp-1192330
4.447723
3.6842
-3.927947
other
Co2N12Cl4O4
22
15
536.84
mp-1182626
11.087468
5.319888
-5.188722
other
Fe12P8H34O54
108
15
1,075.27
mp-23957
7.843896
6.475893
-3.326771
other
Sr2H4I4O14
24
15
351.72
mp-1045813
12.687756
7.172468
-7.080201
other
Ca2Ni2P8O24
36
15
451
mp-1176658
11.884665
-0.67119
0.438647
other
Li2Mn4O4F6
16
15
180.13
mp-1250045
13.487621
7.85973
-0.657104
other
Mg6Ti4Si8O28
46
15
528.13
mp-775439
13.012329
7.880641
-7.421529
other
Li4Cr6P10O36
56
15
768.98
mp-1248859
11.542157
7.228551
-1.868839
other
Ca6Si8Ni4O28
46
15
540.59
mp-1311728
8.539811
13.051453
-0.719422
other
Li8Ni6Sb2O16
32
15
303.51
mp-1259496
12.633411
6.965535
-1.329877
other
Mg4Si8Ni4O24
40
15
440.01
mp-760789
13.41988
8.556331
-7.79735
other
Li14V6P16O58
94
15
1,163.99
mp-643026
10.068506
3.091502
-3.823681
other
Sr2H8Cl4O4
18
15
248.08
mp-1195428
10.386165
5.023995
-4.28645
other
Sr4V8H32O40
84
15
919.65
mp-560268
10.876499
9.120052
-4.180218
other
K4Mo6As8O40
58
15
925.58
mp-1212131
11.103106
11.383667
-2.055707
other
Ho2Tl2W4O16
24
15
330.9
mp-1192982
10.175443
7.161919
-5.975408
other
Ba4Cu2P4O18
28
15
441.05
mp-1196548
8.219665
2.771954
-4.725375
other
H36C32N4O36
108
15
1,073.88
mp-759509
8.685257
14.331195
-0.192307
other
Li8Mn4O8F4
24
15
248.04
mp-1237806
8.370689
3.466626
-4.837556
other
H16C4N12O14
46
15
471.11
mp-9640
9.446702
7.143916
-3.430507
other
Sr2Cu2Se4O12
20
15
322.09
mp-1194741
7.790748
0.094915
-4.516341
other
Si4Te2H36C12
54
15
739.93
mp-707274
10.155396
3.265102
-4.494263
other
H26Se4N6O16
52
15
509.45
mp-1105628
11.04361
7.546525
-2.006132
other
Na2Mn2Ge4O12
20
15
243.77
mp-1198938
7.898798
7.868467
-4.352954
other
V4H4Se4O26
38
15
555.92
mp-1190676
10.620569
3.450851
-3.870546
other
Al2H12Cl2O8
24
15
256.17
mp-698316
9.305989
3.29121
-5.793738
other
Fe4H16C8O24
52
15
544.16
mp-1299593
9.762427
13.762939
-0.440996
other
Li6Mn6Te2O16
30
15
340.66
mp-554382
13.00951
5.748366
-6.275941
other
K4Cd2P4O14
24
15
348.28
mp-1195214
13.125687
4.880101
-2.97206
other
Ba2B8Sb4O24
38
15
464.21
mp-1211565
11.066336
11.06588
-3.616368
other
K2Er2Mo4O16
24
15
310.14
mp-510541
10.89035
11.350446
-1.961315
other
Rb2Gd2W4O16
24
15
340.84
mp-25284
7.850398
14.036521
-1.429211
other
Li2Mn4Ni2O12
20
15
227.72
mp-1288525
9.576995
11.27437
0.757856
other
Ba4Fe2Mo2O12
20
15
274.83
mp-997488
7.905415
6.390579
-1.146223
other
Ca6Ti2Ni2O12
22
15
272.41
mp-559577
11.461031
9.874013
-0.764277
other
Na20U16W10O88
134
15
2,036.32
mp-1254209
12.252224
6.957604
-1.262274
other
Ca6Fe4Si8O28
46
15
561.86
mp-1228148
8.779142
0.890256
0.758899
other
Ba2In2Cu2F14
20
15
302.7
mp-1195725
7.944063
7.416325
-4.126079
other
Cs2Ga4Se8O28
42
15
690.69
mp-850216
8.772068
14.458186
-0.0863
other
Li8Mn4O8F4
24
15
227.2
mp-673119
13.854639
6.880269
-5.656927
other
Li2Sn4P6O20
32
15
531.75
mp-1210102
8.716682
5.020481
-4.889763
other
Sr4Sb4S10O30
48
15
810.12
mp-558985
11.97131
6.98792
0.680669
other
La6Si4Cl2O16
28
15
424.23
mp-1214499
9.049658
1.114158
1.063471
other
Ba4Cr4Cd4F28
40
15
595.58
mp-504880
10.341006
3.700631
-4.387849
other
Ca2H24C2O18
46
15
382.62
mp-24041
10.562569
4.292161
-5.749166
other
Mg2H4S2O10
18
15
185.27
mp-1196636
8.078025
6.445494
-4.769129
other
Ba4Zn2P12O56
74
15
1,353.13
mp-559557
13.86501
4.133506
-2.281491
other
Cs4Na4B20O34
62
15
794.46
mp-766250
10.455495
4.054892
-4.925164
other
Er4H32S6O40
82
15
806.39
mp-9639
9.498105
7.089842
-3.373157
other
Ba2Cu2Se4O12
20
15
331.74
mp-20105
10.49807
10.851555
-3.649683
other
Li2In2Mo4O16
24
15
288.09
mp-1198697
7.794798
1.034795
-3.991943
other
Ni2B20H52O16
90
15
792.59
mp-1199173
10.634729
4.280597
-7.381525
other
K4Ca10S12O50
76
15
1,034.96
mp-18121
14.614422
8.342592
-4.779757
other
Fe8P4O16F4
32
15
382.76
mp-558286
11.175496
10.905338
-3.073124
other
Cu2Sb2Mo4O16
24
15
304.42
mp-562663
5.748776
3.280668
-4.736253
other
Rb4Co4C16O16
40
15
786.32
mp-17839
9.116385
6.822789
-3.620993
other
K6Na2Se4O16
28
15
442.82
mp-6248
13.174801
6.166901
-6.750191
other
Li2Gd2P8O24
36
15
467.95
mp-1200663
8.313822
3.833886
-4.728885
other
Cu4H24N16O20
64
15
792.93
mp-1176729
12.068462
0.567707
0.816385
other
Li2Fe4O4F6
16
15
181.8