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-1190480
8.497656
2.564864
-4.950084
other
Lu1H9C5N2O8
25
5
249.37
mp-1218946
13.222816
5.047176
-2.900909
other
Sr4Ca2Cu12B12O36
66
5
829.54
mp-694979
12.483908
6.620277
-7.464153
other
Na4Ti2Fe2P6O24
38
5
464.19
mp-686434
12.941783
5.626466
-6.536874
other
Ca20Mg20P20O84F16
160
5
1,898.59
mp-1201718
10.865205
9.054945
-3.736351
other
K8Mo10H8Se4O46
76
5
1,189.53
mp-1221832
-5.212281
-2.724329
-4.10659
other
Mn1Cd1Cu4Sn2Se8
16
5
396.07
mp-774573
12.43226
7.837157
-8.086884
other
Li4Mn4Ni2P6O24
40
5
463.3
mp-1233374
13.679949
7.90444
-0.813486
other
Ba2Mg1V2Si4O14
23
5
316.26
mp-2220066
8.352169
10.887355
1.237808
other
Sr3Mg1Fe2Br2O5
13
5
266.75
mp-1004530
8.275364
1.652461
1.074782
other
Cs1B1Pb1I2F4
9
5
263.36
mp-2232662
7.913057
10.130804
-0.164528
other
K3Na1Mg1Ru2O8
15
5
270.6
mp-2232487
12.164792
11.244801
-2.321611
other
Tm2Mg1Mo2Cl2O8
15
5
245.21
mp-1173560
12.82427
6.541441
-0.654889
other
Na2Mg6Si8O22F2
40
5
463.15
mp-777809
13.379338
8.399149
-7.937325
other
Li12Mn4V4P12O48
80
5
964.48
mp-862462
11.63972
12.378895
-3.147027
other
Li2Mn1V4Ni1O12
20
5
257.98
mp-2232107
12.14379
11.315081
-2.393379
other
Tb2Mg1Mo2Cl2O8
15
5
254.35
mp-757262
15.002568
8.521411
-5.274771
other
Li4Mn2V4P6O24
40
5
479.67
mp-532705
12.63853
6.638504
-0.725137
other
Ca8Mg5Fe2Si16O48
79
5
915.13
mp-2227208
12.166018
11.048174
-1.401263
other
Ho2Mg1W2Cl2O8
15
5
252.1
mp-1225171
7.757384
8.056207
-3.706879
other
Mn8Al12Fe4P12O84
120
5
1,413.37
mp-1223767
7.90055
6.481901
-3.35699
other
K2Mg1H4I4O14
25
5
382.92
mp-1225326
13.587619
4.685085
-2.137521
other
Eu1Y1Al6B8O24
40
5
371.55
mp-2227083
12.183176
11.194493
-2.024151
other
Ho2Mg1Mo2Cl2O8
15
5
265.97
mp-1234942
11.629139
11.175916
-1.603257
other
Cs2Tm2Mg1W4O16
25
5
360.63
mp-1221002
13.207346
7.784378
-7.30779
other
Na7Mn4Fe8P12O48
79
5
917.48
mp-774954
13.317647
8.412676
-7.979318
other
Li12Mn4V4P12O48
80
5
952.41
mp-684727
9.046734
1.114343
0.856349
other
Cs2Ta2Co2O4F8
18
5
307.42
mp-677731
14.410399
5.451996
-6.768535
other
Rb2Na1Nb6P3O24
36
5
557.87
mp-2232185
12.18107
11.293869
-2.161028
other
Tb2Mg1Mo2Cl2O8
15
5
272.04
mp-697960
13.770331
4.183585
-2.307488
other
Ba2Na2B10H2O19
35
5
368.75
mp-1224572
10.522922
4.244518
-5.331946
other
K4Fe2H16S4O24
50
5
583.48
mp-1214076
12.931833
6.070319
-0.69336
other
Ca2Al4Si8H4O24
42
5
707.14
mp-764655
14.172192
8.508544
-7.343316
other
Li12Mn2V6P12O48
80
5
958.63
mp-1233958
9.790477
2.285616
-2.10954
other
Ca1Ti1H6O2F6
16
5
192.44
mp-2231666
12.120239
12.576165
-2.417536
other
Mg1Ti1Mn1V4O12
19
5
279.99
mp-1235187
11.526915
11.317039
-1.778718
other
Li1Er2Tl2W4O16
25
5
341.88
mp-760050
12.13476
6.814388
-0.86131
other
Li7Sc9Fe1Si20O60
97
5
1,146.4
mp-1197801
10.021712
7.342721
-5.834345
other
Ag12P8N4O24F8
56
5
860.9
mp-1173239
7.375844
11.892627
2.052723
other
Sr6La14Mn18Fe2O60
100
5
1,222.6
mp-2229594
-3.825335
-0.911026
-5.388837
other
K4Mg1V2Cu2S8
17
5
422.25
mp-721293
10.05531
2.861514
-3.777833
other
Na4Ge1H28Se4O14
51
5
569.07
mp-1229038
-4.862887
-1.845206
-5.470898
other
Al1Ga1Cu2Se2S2
8
5
165.38
mp-644003
12.691061
6.542726
-6.201121
other
Ba2Co4P4H4O18
32
5
389.55
mp-2231031
12.011408
12.672752
-2.578063
other
Mg1Ti1V4Co1O12
19
5
248.7
mp-1221317
12.923638
6.376112
-0.553819
other
Na2Sc1In1Si4O12
20
5
238.92
mp-1221148
14.942828
3.97081
-7.64846
other
Na6Zr4Si4P2O24
40
5
556.85
mp-2218239
7.999287
9.27382
0.828534
other
Ba2Mg1Tl2Cu1O6
12
5
213.77
mp-1222261
13.065684
6.330432
-0.498081
other
Mg3Al8Fe1Si10O36
58
5
805.92
mp-1177241
14.733888
8.172758
-5.844746
other
Li16V8Si4P8O48
84
5
943.44
mp-556865
13.512412
4.691217
-2.348811
other
Na4Be8B4O12F8
36
5
395.73
mp-1233364
11.700156
11.156186
-1.469784
other
Rb2Pr2Mg1W4O16
25
5
370.74
mp-866613
13.702847
4.332284
-2.316853
other
Cs1Na2Be6B5O15
29
5
329.95
mp-684745
10.80689
11.605609
2.858758
other
Cs2Ti2Nb2O8F4
18
5
295.96
mp-1233681
11.712961
11.075041
-1.345214
other
Rb2Ca1Nd2W4O16
25
5
376.4
mp-2232271
12.13042
11.101166
-1.410189
other
Tb2Mg1W2Cl2O8
15
5
268.44
mp-720098
13.406873
6.230288
-7.392685
other
Na4Ti2Cr2P6O24
38
5
479.71
mp-694955
9.860851
11.120016
3.207609
other
Na1Li2La3Ti6O18
30
5
360.84
mp-1216277
-5.231951
-2.745514
-4.147676
other
Zn4Fe1Cu10Sn5Se20
40
5
958.1
mp-1227370
12.320259
6.876495
-0.672279
other
Ca2Ti2Si1Ge1O10
16
5
194.98
mp-1227623
12.868651
5.663443
-6.5946
other
Ca4Mg4P4O17F3
32
5
382.32
mp-1221093
9.656278
7.693757
-2.395205
other
Na1Ca1Fe1Si4O12
19
5
228.02
mp-2229245
-3.50724
-1.075063
-5.42862
other
K4Mg1Nb2Ag2S8
17
5
475.72
mp-1190222
8.491422
2.552656
-4.917709
other
Tm1H9C5N2O8
25
5
257.39
mp-1195231
12.283021
5.502619
-2.939078
other
Ca2Mn2Si4H8O17
33
5
348.38
mp-1224668
5.76497
3.463722
-4.542339
other
H2W4C18N2O20
46
5
826.56
mp-1193031
8.767418
6.453677
-5.392308
other
Zr2P4N6O16F2
30
5
500.05
mp-2233316
-4.800587
-1.225947
-5.7986
other
Mg1Fe2Cu6Sn1S8
18
5
331.68
mp-1221288
8.676215
7.846317
-2.840038
other
Na3Ca1Fe1Si8O24
37
5
475.22
mp-761114
12.521255
7.85029
-7.393723
other
Li4Fe4Cu2P6O24
40
5
445.82
mp-1228966
7.47387
2.82214
-2.212838
other
As2C6N6Cl6F14
34
5
538.84
mp-1233962
11.83573
11.280774
-1.529543
other
Er2Mg1Tl2W4O16
25
5
343.53
mp-887315
13.394633
8.401627
-7.938697
other
Li12Mn4V4P12O48
80
5
950.28
mp-1177805
11.223658
12.378433
-3.355829
other
Li2V4Cu1Ni1O12
20
5
252.65
mp-777834
13.41899
8.417444
-7.978104
other
Li6Mn2V2P6O24
40
5
463.24
mp-2228768
12.187464
11.250387
-2.166401
other
Dy2Mg1Mo2Cl2O8
15
5
268.37
mp-2228645
12.16972
11.253051
-2.329356
other
Dy2Mg1Mo2Cl2O8
15
5
251.69
mp-2223616
10.014248
2.453289
-2.589255
other
Mg1Cu1H4O2F2
10
5
112.11
mp-775172
12.395386
6.990259
-1.275603
other
Li10Sc4Fe6Si20O60
100
5
1,107.2
mp-1223949
8.656026
3.873609
-7.148429
other
K4Rb2C2O6F2
16
5
286.76
mp-1227888
12.592417
6.793538
-0.441938
other
Ca3Mg9Al8Si12O48
80
5
795.86
mp-2215811
10.336694
12.16641
-3.827224
other
Mg1Ti1V2Cr1O10
15
5
214.67
mp-1211865
8.737898
1.903813
0.649922
other
K4Mo2H2O2F10
20
5
370.1
mp-1216071
-4.606261
-1.343118
-6.009859
other
Zn2Cu10Sn5Hg3S20
40
5
853.98
mp-1173253
7.352505
10.352598
1.221164
other
Sr4Y2Co2Cu4O14
26
5
344.95
mp-2229181
-3.484463
-0.995997
-5.372999
other
K4Mg1Nb2Ag2S8
17
5
511.01
mp-2232253
12.135207
11.221457
-2.178796
other
Sm2Mg1Mo2Cl2O8
15
5
279.02
mp-2240947
-3.67129
-0.878114
-5.333016
other
K4Mg1V2Ag2S8
17
5
449.65
mp-19122
12.413227
6.604177
-1.120909
other
Ba1Sr2Mn2Si4O14
23
5
305.45
mp-2232272
11.708208
10.893414
-1.907078
other
K4Mg1Mo2S2O6
15
5
326.78
mp-1228103
10.160537
10.780478
2.347066
other
Ba6Na2Nb2V2O17
29
5
464.38
mp-729543
10.110037
2.358825
-2.746437
other
Zr2Mn2H20O10F12
46
5
452.22
mp-1177907
11.641278
12.441572
-3.204009
other
Li2Mn1V4Co1O12
20
5
258.62
mp-1216393
-5.259234
-2.681722
-4.119121
other
Zn3Fe2Cu10Sn5Se20
40
5
956.64
mp-1223070
10.58763
11.467444
3.136915
other
La2Nb4Cu2Br2O14
24
5
367.66
mp-2226178
-4.46422
-1.337527
-5.937522
other
Mg1Zn1Cu2Sn1S4
9
5
182.88
mp-1235848
13.649075
7.723347
-0.936299
other
Sr2Li1V2Si4O14
23
5
290.22
mp-1233010
11.442791
11.22378
-1.599043
other
Rb2Li1Nd2W4O16
25
5
361.23
mp-2232507
12.178394
11.242583
-2.182446
other
Tm2Mg1Mo2Cl2O8
15
5
260.27
mp-1982329
7.843539
6.455627
-3.336138
other
K8Co4H16I16O56
100
5
1,486.97
mp-24181
13.046267
5.991062
-6.630113
other
Cs1Ga1P3H1O10
16
5
226.72