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-1210427
10.492648
4.50621
-5.735231
other
Na2Mg2H4S2O10
20
11
267.07
mp-772765
9.620013
3.712709
-7.724405
other
K4Pr2P2C2O14
24
11
431.71
mp-556762
8.025444
2.69391
-2.250442
other
B2S4N4O2F14
26
11
381.37
mp-771035
9.657243
3.652771
-8.207467
other
Na12Mn4As4C4O28
52
11
685.42
mp-756268
14.131256
7.792657
-6.568633
other
Li4Fe2Ni2P4O16
28
11
293.23
mp-772561
14.286188
7.567965
-5.606886
other
Li4Cu2Sb2P4O16
28
11
335.1
mp-768867
9.513714
3.779539
-7.45679
other
Na4Sn2C2S2O14
24
11
364.65
mp-773190
13.041631
7.605131
-6.426515
other
Na8V4B4As4O28
48
11
689.69
mp-770761
9.245005
3.946105
-8.021904
other
Li8Mn4C4S4O28
48
11
593.81
mp-770646
9.704373
3.979564
-7.606718
other
Na6Sn2As2C2O14
26
11
382.37
mp-772780
9.599415
3.78256
-7.635031
other
K6Be2P2C2O14
26
11
405.69
mp-778674
12.043396
4.803642
-5.040286
other
Li4Cr2P8H24O36
74
11
757.67
mp-1192499
10.881562
11.971512
-3.629115
other
Ba4V4Fe2H2O18
30
11
431.53
mp-756319
12.110609
6.852935
-7.121816
other
Li6Fe2B2P2O14
26
11
272.07
mp-768670
9.654841
3.681803
-7.897747
other
K6Mg2P2C2O14
26
11
376.94
mp-1219428
-8.698084
-1.513794
4.061829
other
Sc4Fe2B4Ru2Rh8
20
127
266.23
mp-1194240
7.509613
10.708392
1.222175
other
Sr4Gd2Cu4Ru2O16
28
127
351.61
mp-1203899
11.949113
5.231064
-4.922321
other
K8P16H24Pt4O44
96
127
1,477.43
mp-1219435
-8.011086
-1.060438
4.660407
other
Sc4Fe2B4Ru8Rh2
20
127
263.82
mp-690684
11.544571
4.024167
-3.460913
other
Na4B2H8Cl2O8
24
129
264.25
mp-556619
10.013665
11.328289
0.88583
other
Na2La2Mg2W2O12
20
129
251.82
mp-862301
9.748657
8.597304
3.011139
other
Ba8Sc4Fe4As4O12
32
129
612.93
mp-1188768
10.349907
8.611158
3.027866
other
Sr4Sc2Co2P2O6
16
129
251.57
mp-10942
10.227533
10.148261
3.201966
other
K2Na2La2Nb2O10
18
129
287.52
mp-975958
8.771279
1.889214
0.255734
other
K2Na2Mo2O4F8
18
129
312.55
mp-1105354
7.999515
10.936561
1.42865
other
Ca4Fe2Cu2S2O6
16
129
223.95
mp-1189134
8.880347
2.0081
0.660148
other
K2Na2W2O4F8
18
129
319.5
mp-558317
10.22223
10.107932
3.217175
other
K2Na2Pr2Nb2O10
18
129
275.7
mp-556438
10.248043
10.100347
3.232676
other
K2Na2Sm2Nb2O10
18
129
276.17
mp-861868
10.050177
9.950117
3.371111
other
K2Na2La2Ta2O10
18
129
286.02
mp-9425
10.200091
8.30071
1.659412
other
Sr4Ga2Cu2S2O6
16
129
241.3
mp-643248
11.136875
4.053016
-3.933251
other
Na4Al2H8Cl2O8
24
129
294.23
mp-1218175
7.203314
11.72896
2.279049
other
Sr4La4Mn4O16F4
32
129
406.52
mp-558212
10.237385
10.106435
3.238546
other
K2Na2Nd2Nb2O10
18
129
272.63
mp-505312
7.791166
10.819438
1.422679
other
Sr4Fe2Cu2S2O6
16
129
245.99
mp-42020
7.941208
11.501063
1.965423
other
Ba2Y2Mn2Co2O10
18
129
240.67
mp-620364
8.377706
9.705626
1.873919
other
Ca2Sm2Cu2Cl2O6
14
129
208.71
mp-554960
12.982379
8.731159
-5.75632
other
K2Mo2P2Cl2O10
18
129
319.14
mp-20239
7.676617
10.768753
1.970256
other
Sr4Mn2Cu2S2O6
16
129
246.51
mp-861607
10.099534
9.952599
3.42921
other
K2Na2Nd2Ta2O10
18
129
279.73
mp-861957
10.10167
9.980256
3.441761
other
K2Na2Sm2Ta2O10
18
129
275.02
mp-1198376
10.682001
11.984897
-3.621431
other
Cs10V10Fe2Cl12O26
60
129
1,388.08
mp-505311
9.430682
10.483226
1.50854
other
Sr4Cr2Cu2S2O6
16
129
243.09
mp-1190133
7.855283
9.503198
0.917044
other
K2Na2Eu2Ta2O10
18
129
279.51
mp-863031
10.069326
10.004812
3.372931
other
K2Na2Gd2Ta2O10
18
129
263.33
mp-1211139
6.636797
5.946625
-3.938715
other
Na2Al4H16Cl8O16
46
129
823.42
mp-1189201
10.443712
8.668303
2.708567
other
Sr4Sc2Ni2P2O6
16
129
253.33
mp-20737
8.793101
10.344144
2.357303
other
K2Na2Eu2Nb2O10
18
129
278.43
mp-1189114
10.257004
8.637013
2.927721
other
Sr4Sc2Fe2P2O6
16
129
267.72
mp-1105960
10.063309
8.583004
2.91179
other
Sr4Sc2Fe2As2O6
16
129
278.25
mp-556645
11.980421
7.694251
-4.122747
other
Rb2Nb2As2Cl2O10
18
129
362.99
mp-1105769
8.517066
1.513658
0.958137
other
K2Na2Nb2O2F10
18
129
319.24
mp-555152
12.914208
8.62186
-5.812428
other
Rb2Mo2P2Cl2O10
18
129
330.06
mp-13170
10.203173
10.082153
3.196917
other
K2Na2Gd2Nb2O10
18
129
273.92
mp-1227472
7.122277
10.692334
1.301287
other
Ba2Y2Co2Cu2O10
18
129
231.96
mp-861944
10.08659
9.98547
3.429061
other
K2Na2Pr2Ta2O10
18
129
282.29
mp-1189319
9.958653
10.488055
1.488245
other
Sr4Cr2Fe2As2O6
16
129
238.58
mp-1106248
11.510515
10.336318
1.18259
other
Sr4V2Fe2As2O6
16
129
265.61
mp-694933
10.552914
10.934468
1.826255
other
Mg2Ti6Pb10W2O30
50
129
642.83
mp-570502
4.181479
2.168734
-3.187662
other
Cs4Li2Cr2C12N12
32
128
639.54
mp-1199707
9.07018
5.238355
-6.03887
other
K8Mo4S8Br2O40
62
128
1,202.35
mp-557645
9.604259
4.856125
-6.221958
other
K10Na2S8Cl4O24
48
128
899.81
mp-19466
8.108287
2.403357
-1.702575
other
Fe2Sb4C12O12F24
54
128
887.3
mp-1181193
9.615192
6.883737
-2.906875
other
K2Ca8Si16O56F2
84
128
1,386.04
mp-6880
8.015719
2.357005
-1.71495
other
Sb4Os2C12O12F24
54
128
903.43
mp-1020592
2.672099
2.21861
1.520201
other
Sr8Li4Si8N16O2
38
128
492.86
mp-708991
12.520143
5.364937
-2.453573
other
K2Ca8Si16H32O58
116
128
1,318.68
mp-1202298
8.806916
5.47038
-5.919127
other
K8Mo4S8Cl2O40
62
128
1,145.05
mp-6891
8.002838
2.371778
-1.764732
other
Sb4Ru2C12O12F24
54
128
904.68
mp-758840
13.410172
4.569692
-2.889557
other
K4B24P4H16O56
104
130
1,157.42
mp-1522486
9.922471
11.204875
0.222074
other
K2Eu2Sn2W2O12
20
131
304.35
mp-1522465
7.63903
8.923121
0.698895
other
K2Tb2Eu2Nb2O12
20
131
303.74
mp-1520163
10.594557
11.063408
0.412357
other
K2Tb2Sn2W2O12
20
131
297.04
mp-1522724
10.5395
11.006218
0.423536
other
K2Nd2Sn2W2O12
20
131
313.85
mp-1522247
10.570733
11.019028
0.456183
other
K2Gd2Sn2W2O12
20
131
301.43
mp-1520368
11.361521
10.70732
0.660946
other
K2Ce2Sn2W2O12
20
131
309.19
mp-1520451
10.625755
10.092314
3.024089
other
K2Ce2Nb2Sn2O12
20
131
308.36
mp-1522868
10.720255
11.001546
0.396709
other
K2Y2Sn2W2O12
20
131
295.48
mp-1521946
10.65096
11.030312
0.410279
other
K2Sm2Sn2W2O12
20
131
306.92
mp-703517
10.746643
4.138386
-4.347766
other
Na2Mg2P2H24O22
52
131
514.69
mp-608239
-3.811043
-1.09992
-4.988791
other
Cu16Ge10C8S32N16
82
131
2,304.53
mp-770719
10.967155
6.321197
-3.391681
other
Rb2Li4Ni4B6O18
34
13
411.3
mp-698351
8.381179
1.726953
-4.575694
other
Ag4H24C16N8O8
60
13
571.17
mp-1224640
13.173001
4.589745
-2.677742
other
K6B10P2H4O26
48
13
631.39
mp-770709
13.047454
5.540368
-2.911441
other
Rb2Li4Fe4B6O18
34
13
427.75
mp-1192822
4.238773
2.348466
-3.155509
other
Cs2Cu2Ag4C8N8
24
13
494.83
mp-1199647
8.868758
2.890802
-4.669683
other
Mo6H24C6N12O24
72
13
776.29
mp-1213924
9.670915
5.059363
-6.531732
other
Cd4Hg4H2S4O20
34
13
517.3
mp-553977
10.263562
4.453663
-6.720692
other
K8Np2S4Cl2O20
36
13
663.49
mp-1202611
7.670362
1.759241
-4.435334
other
Mn2H40C44N20O12
118
13
1,280.49
mp-1190630
4.268223
2.339725
-3.150215
other
K2Cu2Ag4C8N8
24
13
449.07
mp-16872
13.734028
4.414618
-2.220097
other
Rb2Li4Ga4B6O18
34
13
421.84
mp-1201096
10.697433
9.968403
-2.103945
other
Ca2Cr2Bi24Mo8O68
104
13
1,710.71
mp-1210394
11.619662
7.358872
-0.992041
other
Na8Sn4Ge10H2O32
56
13
785.67
mp-707928
8.809207
2.437601
-4.720571
other
H32C8S12N8O24
84
13
1,023.88
mp-1179202
7.635054
4.913093
-4.549624
other
Sr2Cu2H8C8O16
36
13
647.17
mp-1200930
9.379108
7.038484
-3.177102
other
Cd6Pb4Se8I4O24
46
13
924.04
mp-40206
10.20343
10.908523
3.196468
other
Ca4Nd4Nb6Fe2O28
44
13
586.02
mp-1212120
9.634265
3.73909
-4.160845
other
Pr4H40N4Cl8O32
88
13
1,032.42
mp-600520
8.197349
4.599092
-4.251541
other
Sr2Cu2H8C8O16
36
13
485.88