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-693600
10.165068
10.21321
2.96883
other
Ba4La12Mg8Ti6W2O48
80
12
1,092.97
mp-1233294
11.300055
11.741838
-2.043898
other
Ba1Mg1V2Ni3H2O10
19
12
230.84
mp-2216432
10.102224
9.983225
2.787011
other
Ba6Mg1Nb2Ir1Cl2O12
24
12
498.2
mp-642804
12.102242
5.041016
-5.429993
other
K1Cu2P2H3O8F2
18
12
207.93
mp-1228694
8.500383
10.726695
1.522001
other
Ba6Nd3Ti1Cu6Mo2O24
42
12
557.75
mp-743577
9.860752
3.254879
-3.880518
other
Fe1H12C2S2O12F6
35
12
429.53
mp-1195695
8.39868
1.216603
-4.344894
other
H24C8I2N2O4F4
44
12
486.08
mp-1199286
8.51125
1.146354
-4.359697
other
H50C16I2N4O4F8
84
12
808.79
mp-1173231
7.017786
10.494354
0.875859
other
Sr4Ca1Y1Co2Cu4O14
26
12
345.05
mp-1196794
6.999464
5.57307
-4.755143
other
K2Zn4Ru4C8Cl4O48
70
12
1,202.69
mp-699429
9.760789
3.079978
-3.888513
other
V1H12C2S2O12F6
35
12
432.42
mp-866657
9.402891
3.782321
-6.405432
other
Dy2Ag2H4C4S2O18
32
12
388.97
mp-707729
8.179041
2.493484
-4.536635
other
Ba2H12C4S4N4O6
32
12
487.05
mp-1195330
6.605686
0.517452
-3.483737
other
K2B22H26C4N2O2
58
12
696.77
mp-698397
8.764341
1.308991
-4.318314
other
Sn1H24C6N2O2F6
41
12
392.87
mp-696851
9.043593
2.520658
-4.66778
other
Zn2H24C4S4N12O16
62
122
695.56
mp-1200331
4.753068
2.166142
-3.52995
other
Mg2B4H8C16N16O4
50
122
732.92
mp-1205035
9.409021
2.223202
-4.366976
other
Ag2H56S16Br4N18O24
120
122
1,524.08
mp-1196199
9.521415
2.000969
-4.353303
other
Ag2H72S16I4N18O24
136
122
1,509.13
mp-849798
9.579021
2.072788
-4.368894
other
Ag2H72S16Br4N18O24
136
122
1,464.77
mp-1227925
12.190507
7.418804
0.417639
other
Ca12Zr8Al4Fe4Si4O48
80
122
1,020.68
mp-1197502
9.523487
1.999747
-4.353357
other
Cu2H72S16I4N18O24
136
122
1,474.33
mp-1227961
12.219004
7.361776
0.438486
other
Ca12Hf8Al4Fe4Si4O48
80
122
1,005.24
mp-1214757
9.606214
10.582932
3.056315
other
Ba2Ca1Sm2Ti3Cu2O14
24
123
313.85
mp-2232457
11.057471
9.935167
1.977466
other
Ba2La1Mg1Ta1Cu2O8
15
123
228.66
mp-1214800
7.961455
10.687806
1.870716
other
Ba2Ca2Eu1Ti3Cu2O14
24
123
302.28
mp-2239929
10.430146
9.816806
0.961079
other
Sr2Mg1Cu1C1N2O2
9
123
150.68
mp-2228484
10.874129
10.136287
1.30242
other
Sr2Y1Mg1Tl1Fe2O7
14
123
220.43
mp-1214598
9.002645
10.515025
2.78736
other
Ba2Nd1Dy1Ti2Cu2O11
19
123
245.29
mp-1214744
8.258757
10.807553
2.194699
other
Ba2Ca2Tb1Ti3Cu2O14
24
123
301.57
mp-2232323
11.042636
9.929748
2.011724
other
Ba2Nd1Mg1Nb1Cu2O8
15
123
226.36
mp-2240990
9.023675
10.206555
1.549227
other
Sr2Gd1Mg1Cu2Ru1O8
15
123
204.76
mp-2232379
11.293427
10.029492
2.023427
other
Sr2Sm1Mg1Ta1Cu2O8
15
123
214.96
mp-2228460
10.546778
9.797116
1.594103
other
Ba2Y1Mg1Mn2Tl1O7
14
123
235.69
mp-605239
9.908361
6.787037
-3.788455
other
K2Ca8Si16H32O56F2
116
128
1,234.4
mp-1196532
12.521269
5.318741
-2.36259
other
K2Ca8Si16H32O56F2
116
128
1,316.34
mp-1182518
10.643783
6.208152
-3.376962
other
K2Ca8Si16H32O56F2
116
128
1,391.39
mp-1248491
10.567909
6.257222
-3.798407
other
K2Ca8Si16H32O56F2
116
128
1,205.03
mp-653840
9.358035
5.407578
-6.260147
other
K4Cu28Te4S20Cl4O96
156
130
2,057.94
mp-1203606
8.360467
0.83635
-4.485967
other
Pu2H48C16N4Cl8O4
82
136
1,137.86
mp-1197122
8.377684
0.858601
-4.487554
other
U2H48C16N4Cl8O4
82
136
1,066.68
mp-863023
9.552783
6.373912
-3.755082
other
Rb2Zn2H4Se4Cl2O12
26
13
425.62
mp-1214612
10.927506
11.979091
-3.576928
other
Ba10Mg2Mn2V8Cl12O28
62
13
1,157.72
mp-555299
8.179023
3.549253
-3.575182
other
Sr2C8S8N4O16F24
62
13
946.39
mp-1195628
14.028104
6.825906
-6.645323
other
Cs2K4Mn6P8Cl2O28
50
13
802.95
mp-720987
13.039348
6.400715
-0.362274
other
Na6Ca2Sc6Zn2Si16O48
80
13
1,045.45
mp-1197226
12.881405
6.190522
-0.871304
other
K2Na2Al12Si12H8O48
84
13
943.53
mp-863017
9.462529
6.443701
-3.745794
other
Rb2Zn2H4Se4Br2O12
26
13
437.43
mp-728512
13.247577
5.449995
-1.480596
other
Ca8Ce4Ti2Si8B8O48
78
13
881.17
mp-556201
7.234652
2.512591
-1.983839
other
Ag2Sb2C4N4Cl4F12
28
13
641.52
mp-684991
12.82615
6.427741
-0.483161
other
Na2Ca2Sc2Zn2Si8O24
40
13
466.62
mp-1173102
2.640635
3.042483
-4.391427
other
Ti4H4C2Se8Cl32O10
60
13
2,026.26
mp-1202797
8.084268
1.644468
-4.431568
other
Ag4H24C6S6Br4N12
56
13
806.84
mp-1203739
12.87947
6.182752
-0.878821
other
K6Na2Al24Si24H16O96
168
13
1,874.33
mp-1248585
13.05563
6.474491
-0.396408
other
Na6Ca2Sc6Zn2Si16O48
80
13
990.85
mp-1205072
12.881003
6.201208
-0.912577
other
K2Na6Al24Si24H16O96
168
13
1,830.24
mp-725593
13.637225
7.351624
-0.82201
other
Na2Ca6Al2Fe6Si16O48
80
13
908.42
mp-1173652
11.023162
4.860135
-4.730385
other
Na2Mg4Fe6P8H36O52
108
13
1,319.94
mp-1204766
8.069719
7.528187
-4.720506
other
Ca2Mg4Mn2Fe4P8O52
72
13
980.36
mp-1200489
2.614441
2.90955
-4.358894
other
Ti4H4C2Se8Cl32O10
60
13
1,649.17
mp-1198292
8.644573
1.956404
-4.47069
other
Nd2H48C8I6N16O16
96
13
1,260.31
mp-693463
12.737144
6.443311
-0.590615
other
Na2Ca6Sc2Zn6Si16O48
80
13
927.83
mp-1204699
8.098626
0.989379
-4.512211
other
Sn4H40C12S4N12Cl8
80
13
1,148.64
mp-693432
2.565727
3.193424
-4.440058
other
Ti4H4C2Se8Cl32O10
60
13
1,489
mp-1218536
7.284865
9.957286
0.915601
other
Sr4Ca1La1Tl2Cu4O14
26
139
362.56
mp-1214747
8.16256
10.473699
2.133445
other
Ba2Ca2Nd1Ti2Cu2O12
21
139
278.01
mp-1173221
6.950571
10.195121
0.46554
other
Sr4Ca2Tl1Cu4Pb1O14
26
139
353.97
mp-1218685
7.806185
9.887613
1.460127
other
Sr4Ca1Y1Cu6Pb4O16
32
139
468.46
mp-1197279
7.853648
1.891983
-4.514558
other
Hg8H96C96S16N16O32
264
142
3,529.65
mp-645405
9.672693
6.773142
-3.354081
other
Rb12Li2Pr22Se24Cl32O72
164
140
3,272.84
mp-607785
9.658245
6.802128
-3.292593
other
Rb12Li2Nd22Se24Cl32O72
164
140
3,227.97
mp-1228617
12.165941
6.570679
0.119866
other
Ba3Sr2Ca4Mg3Si6O24
42
143
549.97
mp-1221829
12.044007
6.672641
-7.107193
other
Na22Ca1Fe6P12O48F6
95
143
1,158.08
mp-1222471
12.791745
6.35248
-1.083585
other
Mg7Ti1Al6Si8H8O38
68
143
662.76
mp-2216001
14.625585
7.880764
-5.441588
other
Mg1Ti3Fe2Co1P6O24
37
146
470.23
mp-2216303
13.004458
7.907599
-6.949875
other
Mg1Fe3Co2Sb1P6O24
37
146
471.4
mp-1234314
12.127317
7.736607
-7.437491
other
Mg1Fe3Ni2Sb1P6O24
37
146
479.74
mp-1233744
12.415244
7.663751
-7.30104
other
Mg1Fe3Ni2Sb1P6O24
37
146
473.49
mp-1233667
14.64541
7.877455
-5.295893
other
Mg1Ti3Fe2Co1P6O24
37
146
474.52
mp-1221456
9.302352
5.653008
-5.927623
other
Na2Mg2Fe2Se3S3O24
36
146
503.89
mp-1233291
14.629692
7.879321
-5.42094
other
Mg1Ti3Fe2Co1P6O24
37
146
471.1
mp-771567
13.576069
6.924645
-7.390856
other
Li1Ti3Mn1Cr1P6O24
36
146
453.56
mp-1233428
13.87806
8.376558
-7.051666
other
Mg1V1Cr2Fe3P6O24
37
146
456.51
mp-1221241
10.343554
7.110712
-1.974774
other
Na1Mg6Al3Si6B3O30
49
146
691.48
mp-1233569
13.14292
7.945149
-6.961349
other
Mg1Fe3Co2Sb1P6O24
37
146
470.35
mp-776043
13.220139
6.969738
-7.444764
other
Na1Li3Ti2Cr2P6O24
38
146
461.36
mp-1233940
12.625037
7.966554
-7.416969
other
Mg1Cr2Fe3Ni1P6O24
37
146
451.29
mp-1233860
12.887421
7.744492
-6.994437
other
Mg1Fe3Ni2Sb1P6O24
37
146
465.3
mp-1234431
12.996046
7.822618
-6.984346
other
Mg1Fe3Ni2Sb1P6O24
37
146
465.87
mp-849337
12.14202
7.258036
-7.596258
other
Na1Li3Ti2Fe2P6O24
38
146
466.89
mp-1220864
12.68066
6.279807
-0.488314
other
Na8Al3Ga3Si6Cl2O24
46
146
732.83
mp-1233136
13.12074
7.921863
-6.927279
other
Mg1Fe3Co2Sb1P6O24
37
146
472.7
mp-1233795
12.589699
7.962064
-7.431785
other
Mg1Cr2Fe3Ni1P6O24
37
146
454.45
mp-720670
9.567194
3.299153
-4.286264
other
Na10Zn7Sn7H24S26O12
86
146
1,407.09
mp-1234418
12.639719
7.955324
-7.45943
other
Mg1Cr2Fe3Ni1P6O24
37
146
449.31
mp-769078
14.362176
7.059046
-5.739284
other
Na2Li3Ti3Al1P6O24
39
146
475.04
mp-1234239
12.498825
7.833315
-7.277346
other
Mg1Fe3Co2Sb1P6O24
37
146
477.88
mp-1233872
12.623691
7.677141
-7.201875
other
Mg1Fe3Ni2Sb1P6O24
37
146
469.95
mp-1234543
12.50771
7.952782
-7.474345
other
Mg1Cr2Fe3Ni1P6O24
37
146
453.86
mp-2216237
12.497376
7.927085
-7.512076
other
Mg1Cr2Fe3Ni1P6O24
37
146
451.07