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-1192993
8.032759
2.69305
-1.312922
other
Be2Cu2O10F8
22
2
286.62
mp-1175183
6.356489
20.334875
-0.450047
other
Li14Mn8Co2O24
48
2
435.24
mp-1191243
8.006482
2.490707
-1.441417
other
Na3U2O10F7
22
2
435.35
mp-1202207
12.737644
6.10007
-1.003337
other
Ca6Si6H4O20
36
2
434.9
mp-760346
10.19104
0.66311
0.269407
other
Li4Co8O2F16
30
2
387.06
mp-1020015
13.637838
4.513713
-2.737519
other
Li16B24P8O64
112
2
1,245.5
mp-1095492
6.790062
7.363598
-3.756601
other
Ca2Fe1Cl1O8
12
2
180.96
mp-1208000
11.766691
7.309963
-0.528733
other
Tm2Cu1Ge4O12
19
2
254.57
mp-627575
-0.314949
0.740304
-3.746927
other
K4Zr6C1Br18
29
2
899.03
mp-764125
12.63835
7.62317
-8.08254
other
Li8Mn4P6O24
42
2
489.12
mp-2229100
11.609304
9.297152
2.540635
other
Ho4Mg1Ti2O10
17
2
214.42
mp-1642632
12.044642
7.538949
-1.155435
other
Sr4Co4Ge8O24
40
2
522.39
mp-1304075
6.687462
14.223372
-1.788463
other
Li2Mn1Co3O8
14
2
144.6
mp-1371287
7.528763
5.073084
-1.766782
other
Li2Fe2Si6O16
26
2
315.39
mp-1295198
13.651765
7.855515
-0.930339
other
Li4Fe4Si4O14
26
2
406.76
mp-757307
13.724131
7.806563
-1.025949
other
Li3V3Si6O18
30
2
334.48
mp-1183876
9.257192
7.151464
-3.626055
other
Cd2Hg4Se2O12
20
2
327.39
mp-1237608
3.945366
3.426136
-3.840301
other
U1Br4N2O4
11
2
288.04
mp-756840
13.584189
5.475474
-2.980925
other
Li4Co4B4O12
24
2
256.76
mp-768797
13.763367
4.976905
-2.346879
other
Li6Bi2B4O12
24
2
306.67
mp-1214470
9.905786
5.210967
-3.982087
other
Ca2B4H4O14
24
2
264.3
mp-2228488
10.586736
12.683172
-0.647969
other
Mg1Ti1Fe4O8
14
2
157.95
mp-1237060
8.54524
5.318745
-4.36961
other
Ni1H6S2O12
21
2
319.52
mp-1104061
8.493609
2.800753
-4.617876
other
H6Pd1N4O4
15
2
173.41
mp-752982
10.76634
0.038652
0.299243
other
Li4Mn4O2F12
22
2
288.59
mp-755227
8.766703
8.081157
-5.438643
other
Co4P4H4O20
32
2
336.37
mp-1219275
-2.843901
0.593657
-3.658271
other
Re8Os4Se16Cl8
36
2
894.69
mp-1175726
3.420826
23.247381
-1.478497
other
Li9Mn2Co5O16
32
2
292.66
mp-1177939
9.663324
8.095156
-6.213418
other
Li2Mn1P2O8
13
2
149.52
mp-1204445
10.662351
4.377383
-6.706501
other
Th2H4S6O24
36
2
474.69
mp-1200291
7.461611
7.683002
-4.000587
other
Ga1Co1Mo6O40
48
2
834.21
mp-1194493
7.835885
6.683735
-4.976317
other
Pt2S4N2O18
26
2
407.05
mp-1046667
10.630087
7.960337
-7.189927
other
Mg2Co2P2O10
16
2
173.16
mp-1197420
10.360229
3.852795
-4.226933
other
Mg2Cr2H44O30
78
2
754.08
mp-772040
8.237595
2.583312
-1.270196
other
Sb2H2O4F12
20
2
304.65
mp-755157
11.910406
7.914607
-8.137597
other
Li3Mn3P4O16
26
2
313.28
mp-745067
7.709614
5.410918
-3.758416
other
Ca2H16Br4O24
46
2
739.71
mp-554057
10.779915
4.099429
-7.288414
other
K2Pr2S4O16
24
2
334.32
mp-2218302
-5.141326
-0.940853
-3.782988
other
Mg1Fe4P4S4
13
2
183.33
mp-769593
11.657662
13.422637
-0.121571
other
Li8V2Cr6O16
32
2
298.32
mp-758187
7.776274
13.481835
-0.95037
other
Li8Ni6Sn4O20
38
2
390.53
mp-560404
9.675154
6.584347
-3.856097
other
In4H4Se4O16
28
2
383.63
mp-1342532
7.816494
5.156999
-1.777566
other
Sr2Ni4P4O16
26
2
313.02
mp-560130
11.560851
11.119768
-3.646261
other
Fe4Ag2Mo6O24
36
2
545.59
mp-2232825
11.544492
13.209015
-2.753389
other
Mg1Tl1V4O10
16
2
205.28
mp-1174539
4.002189
23.129429
-1.230625
other
Li7Mn2Co3O12
24
2
213.38
mp-1105750
8.894562
5.38501
-5.882562
other
Li1Au1S4O14
20
2
298.18
mp-21728
10.302923
12.027479
-3.627492
other
Tl2V6Cu10O26
44
2
558.42
mp-1366770
7.861496
5.729757
-1.832259
other
Li5Co3Sn2O10
20
2
199.89
mp-542100
13.00318
6.263148
-0.813155
other
K4Nb2Si8O23
37
2
563.42
mp-1175657
3.496263
23.342848
-1.444032
other
Li9Mn2Co5O16
32
2
292.08
mp-2218443
12.906245
11.221184
-0.530285
other
Mg1Sc1Mo3O8
13
2
171.88
mp-1192167
8.207039
4.882895
-3.987778
other
Na2H8Cl2O12
24
2
298.08
mp-26449
9.785267
7.943011
-6.228176
other
Li2Ni2P4O14
22
2
255.75
mp-766881
9.427232
4.917425
-4.385334
other
H14S2I2O20
38
2
414.39
mp-1280502
7.80794
16.964622
-0.447361
other
Li6Mn4Co2O12
24
2
224.37
mp-850918
14.35631
7.752104
-7.051637
other
Li2Mn5P4O16
27
2
336.41
mp-1175857
3.398326
23.215059
-1.50962
other
Li9Mn2Co5O16
32
2
291.46
mp-1104916
10.156991
2.113984
-0.253291
other
V2Pb1O2F8
13
2
199.46
mp-754376
6.279134
13.935467
-1.801963
other
Li4Co4Ni2O12
22
2
209.44
mp-863022
-3.377216
-0.984048
-5.208181
other
Rb2Ta2Ge2S10
16
2
416.46
mp-1174528
4.028339
23.110777
-1.220466
other
Li14Mn4Co6O24
48
2
428.12
mp-1320262
13.670024
7.606808
-0.895196
other
Zn4Fe4Si8O24
40
2
470.02
mp-653817
6.049975
3.505984
-4.737425
other
Fe12Ge4C46O46
108
2
1,718.61
mp-6097
13.91043
4.675557
-2.215758
other
Li6Al2B4O12
24
2
240.07
mp-1196453
8.757131
4.043723
-4.408162
other
Dy6H40N8O49
103
2
1,023.59
mp-755460
12.533053
12.138775
0.032061
other
Li12Al6V6O24
48
2
429.13
mp-850965
14.3723
5.248722
-2.691469
other
Li4Mn6B6O18
34
2
374.39
mp-637112
7.809632
2.431085
-1.403611
other
As6S42I6F36
90
2
2,101.76
mp-555974
12.828949
6.278853
-0.66683
other
Rb4U2Si8O24
38
2
622.71
mp-1202503
13.238436
7.087382
-6.551373
other
Si2P8N4O26
40
2
578.97
mp-26245
10.55128
7.586388
-6.419514
other
Li6Bi4P10O36
56
2
755.81
mp-768874
8.741757
14.10714
-0.710465
other
Li8Cr2Fe6O16
32
2
302.22
mp-776599
13.79298
5.646373
-7.57191
other
Na2Ti4P6O24
36
2
480.8
mp-1405125
7.439621
4.937092
-1.591606
other
Li2Mn3Cr1O8
14
2
148.73
mp-558825
11.57233
11.060004
-3.544577
other
K8Mn2Mo6O24
40
2
757.9
mp-697701
11.497264
4.550211
-5.135057
other
La2P6H16O14
38
2
469.64
mp-631378
-4.496734
-5.629393
0.501897
other
Cs14Nb2In6As10
32
2
1,298.51
mp-545525
10.657106
11.977327
2.189188
other
Nb2Cu2O6F2
12
2
158.01
mp-759254
12.36821
6.500956
-6.323085
other
Li2Bi8P14O48
72
2
1,124.24
mp-1199831
10.972293
4.037008
-3.980675
other
Na18Al4H54O42
118
2
1,086.56
mp-1214695
9.393759
1.293805
0.669324
other
Ba2V1Cu2F12
17
2
240.4
mp-769527
6.13991
13.461218
-2.416535
other
Li2Mg1Co13O28
44
2
477.88
mp-1174333
3.724096
22.786383
-1.286265
other
Li5Mn2Co1O8
16
2
145.1
mp-1225339
7.468375
6.650078
-3.291297
other
K6U4I14O52
76
2
1,385.74
mp-1290756
9.668171
14.207434
-0.162355
other
Li6Mn4Sn2O12
24
2
251.28
mp-1175745
4.034254
22.825132
-1.319729
other
Li9Mn2Co5O16
32
2
286.07
mp-1641416
7.743152
17.756105
-0.277223
other
Li12Mn10Co2O24
48
2
471.69
mp-695042
9.855483
10.88948
3.392392
other
Sr18La2Ti20O60
100
2
1,228.99
mp-1287572
6.826956
14.648026
-1.521138
other
Li8Co6Ni2O16
32
2
282.3
mp-1211728
7.590734
6.609237
-2.902127
other
K3In1I6O18
28
2
463.43
mp-757183
12.27664
7.05621
-1.56704
other
Li2Fe2Si6O16
26
2
315.34
mp-756675
10.144238
12.92715
-0.201237
other
Li5Fe3Sn2O10
20
2
203.91
mp-1193842
7.112676
7.637708
-3.424544
other
Co2Sn2O12F12
28
2
399.4
mp-559532
13.636317
7.816056
-1.111282
other
Na4Fe12Si12O40
68
2
768.33
mp-554819
3.228169
3.106775
-4.65216
other
Mg2P8Cl20O12
42
2
1,083.62
mp-653267
6.048647
3.477364
-4.72269
other
Fe12Sn4C46O46
108
2
1,781.22
mp-1197512
6.286757
5.836044
-3.965857
other
Ca2Cd3Cl10O18
33
2
724.82
mp-1182577
7.012066
4.895225
-5.061578
other
Ba2Cu1C6O16
25
2
549.12
mp-1666595
6.431118
20.253658
-0.434217
other
Li14Mn8Co2O24
48
2
435.32