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-756499
9.679323
3.72325
-8.765185
other
Li6Mn2P2C2O14
26
31
295.2
mp-1227557
-5.084284
-3.140494
-3.36696
other
Bi2Te4Pb4Au2S6
18
31
497.12
mp-1194841
10.305934
3.695616
-3.981644
other
Sr6Cu6H18Cl6O18
54
31
706.69
mp-554894
11.177958
3.950634
-4.32266
other
Mg2Tl2P2H24O20
50
31
482.4
mp-735535
10.996324
3.533282
-4.700868
other
Ni2P2H12N2O10
28
31
228.95
mp-1209752
12.230659
7.144138
-0.170176
other
Rb4Na4Al6Ge6O24
44
31
724.94
mp-1173807
8.484048
13.415511
-0.755517
other
Na2Ca2Ti2Fe6O16
28
31
305.52
mp-758833
10.73174
3.450052
-4.352837
other
Co2P2H32N2O20
58
31
482.03
mp-1200428
11.050543
4.097722
-4.204024
other
K2Mg2As2H24O20
50
31
507.24
mp-505449
10.685636
3.456248
-4.341877
other
Ni2P2H32N2O20
58
31
459.53
mp-643954
12.317182
5.481921
-5.519242
other
K4Co4P4H8O20
40
31
458.08
mp-1213814
10.318938
6.214394
-6.163853
other
Co2P2H2N2O8
16
31
230.6
mp-556009
11.127127
4.0797
-4.244876
other
Mg2Tl2As2H24O20
50
31
505.76
mp-732315
11.260777
3.628089
-4.76219
other
Mn4P4H24N4O20
56
31
510.74
mp-1210838
11.072452
4.352188
-4.67944
other
Mg2P2H12N2O10
28
31
398.63
mp-1173524
2.885023
2.213375
1.782595
other
Nd12Al4Si20N40O4
80
32
1,020.52
mp-1204908
8.26923
8.069249
-3.999309
other
K4U4V4I4O40
56
32
884.5
mp-850441
10.938911
5.075469
-5.20746
other
Li2Mn4P4H18O26
54
32
518.57
mp-801544
8.375811
4.992097
-2.534626
other
V2P4H16N4O16
42
32
412.56
mp-1197829
11.868542
4.600687
-4.950427
other
K2Al4P4H18O26
54
32
525
mp-1196983
11.921324
6.966401
0.370315
other
Ba4Y6Si4O16F10
40
32
593.81
mp-1204138
4.453605
3.507407
-4.050742
other
Ru4C4N16Cl6O10
40
34
945.4
mp-1210485
13.072332
4.593694
-2.570413
other
Na2B20H6Pb8O42
78
34
888.74
mp-41109
11.966518
6.892938
0.436194
other
Ca6Er6Ge4B2O26
44
34
560.2
mp-706227
6.76056
2.243238
-3.994825
other
B6H30C24N24O12
96
34
1,203.76
mp-1099867
11.167701
11.74338
-3.096394
other
K2Na6V4Mo4O24
40
35
476.93
mp-1076337
9.002004
11.087273
2.869057
other
Ba2Sr6Ti7Mn1O24
40
35
495.4
mp-1076399
5.313945
10.981154
-0.963572
other
Sr6Ca2Fe7Co1O24
40
35
469.37
mp-1076598
8.098727
11.121361
1.683775
other
La7Sm1Mn2Fe6O24
40
35
487.04
mp-2230885
11.805161
10.945368
-1.747425
other
Mg1Mn2Te2Mo2O12
19
35
244.57
mp-1221098
12.745307
6.42568
-0.340739
other
Na2Ca2Al2Si4O14
24
35
303.55
mp-1228470
7.200905
9.833899
1.200118
other
Ba3Ca1La2Cu6O14
26
35
354.37
mp-2231074
11.672243
10.157107
-2.216329
other
Mg1Cd2Te2Mo2O12
19
35
255.6
mp-572800
11.072117
12.070847
-3.338621
other
Cs4Mn2V4Br4O12
26
35
625.33
mp-1227107
13.655249
4.894026
-2.198685
other
Ca2Ga2Bi2B4O14
24
35
270.87
mp-1076431
8.258616
11.146547
1.717537
other
La7Sm1Cr2Fe6O24
40
35
489.32
mp-1076138
7.23755
11.634324
1.940532
other
Sr6Ca2Ti4Mn4O24
40
35
472.58
mp-699412
8.618061
1.623037
-4.495123
other
B3H52C16N12O12
95
35
1,233.84
mp-1076528
5.9802
11.250187
-0.012739
other
Ba2Sr6Co4Cu4O24
40
35
482.57
mp-1297861
7.918614
11.443921
1.903128
other
Ba2Y2Mn2Co2O10
18
35
242.9
mp-695175
9.740073
11.03063
3.352548
other
Na3Sr14Nd3Ti20O60
100
35
1,209.03
mp-686547
8.352009
0.753783
-4.419958
other
Al3H36C12N3F4
58
35
680.84
mp-1076076
6.745668
11.193898
1.294247
other
La7Sm1Co6Cu2O24
40
35
450.61
mp-2224723
8.109416
2.47328
-1.461141
other
Mg1Sb1N1O2F6
11
35
183.38
mp-1075969
5.347729
11.066093
-0.779671
other
Sr6Ca2Mn1Fe7O24
40
35
473.41
mp-1227874
6.440558
11.642741
1.199371
other
Ba2Nd2Mn2Co2O12
20
35
243.28
mp-1217456
10.585075
10.890203
1.998377
other
Ti4Fe1Bi1Pb4O15
25
35
350.31
mp-1246044
10.437562
10.622641
3.046401
other
Ba2Sr6Ti7Mn1O22
38
35
503.96
mp-1076741
5.705691
11.683651
-0.118248
other
Sr6Ca2Co7Cu1O24
40
35
456.68
mp-573229
10.894258
12.056296
-3.464173
other
Cs4Mn2V4Cl4O12
26
35
593.7
mp-1173878
9.696134
11.029545
3.348854
other
Na3Sr14La3Ti20O60
100
35
1,213.04
mp-1076275
6.796432
11.193028
1.15462
other
La7Sm1Co6Ag2O24
40
35
478.15
mp-1221336
12.907898
6.304494
-0.742035
other
Na6Li2Mg8Si24O60
100
37
1,320.01
mp-1218930
8.422024
9.307261
1.094678
other
Sr4Ca2Cu4Bi4O16
30
37
470.8
mp-694935
12.892342
6.338388
-0.700487
other
K6Li2Mg8Si24O60
100
37
1,322.52
mp-695366
13.20017
6.773036
-0.84473
other
Na6Li2Mg8Si24O60
100
37
1,312.4
mp-1229295
11.095006
3.504957
-4.743866
other
Be16P16H68N16O66
182
37
1,632.83
mp-1204563
8.253917
0.774436
-4.520574
other
Sn2H20C6N2Cl6
36
36
542.12
mp-542567
10.341984
4.265397
-6.09461
other
Rb4Cd6H12S6O32
60
36
817.48
mp-1212573
9.191705
1.754853
-4.178796
other
H34Ru2N12Cl2O6
56
36
527.91
mp-1202247
10.513812
4.18036
-5.470726
other
Na4Mg6H20S6O36
72
36
755.62
mp-766208
10.25078
11.474627
3.010115
other
Ba6Li2Ti10Nb6O42
66
36
866.09
mp-1198960
10.549027
3.915033
-5.135333
other
Cd6H28S6N4O32
76
36
741.48
mp-1106308
2.798605
3.086159
-4.057593
other
K2Os2Br8N2O4
18
36
560.51
mp-1223383
10.748108
10.735406
2.387056
other
Na4Ca2Nb8Bi4O30
48
36
642.46
mp-1214510
9.213725
6.731344
-3.600954
other
Ca4Y4Si8C6O46
68
36
941.23
mp-1211579
2.325593
3.039287
-4.448027
other
K2H4Os2N2Cl8
18
36
452.36
mp-766108
10.086835
10.945582
2.257887
other
Ba6Li2Ti10Sb6O42
66
36
859.74
mp-1227756
-2.992976
-1.85577
-5.709675
other
Ca4La2Ge2S8Cl6
22
36
529.85
mp-1211357
10.292857
4.360463
-5.25025
other
Na4Co6H20S6O36
72
36
748.11
mp-1211740
1.526825
2.529913
-4.079773
other
K2H4Os2Br8N2
18
36
510.48
mp-720901
10.080122
4.228536
-5.334224
other
Na6H12S4N2O20
44
36
519.05
mp-1202064
6.74778
5.450669
-4.338238
other
Cu6Pb4Se4N4O28
46
36
715.15
mp-1097033
14.474813
8.270143
-5.938577
other
K6V4P4O16F6
36
36
506.23
mp-1229193
-3.509405
-1.612115
-5.305387
other
Bi2Sb16Pb12Au2S40
72
36
1,851.49
mp-682592
10.75731
5.696669
-4.516189
other
K4Ca4C4O6F4
22
36
373.77
mp-1019537
3.125846
2.514193
1.694217
other
Ba2Al2Si8N10O6
28
36
370.7
mp-1192701
7.576258
1.015618
-4.535461
other
Ta2H12C4Se2Cl10
30
36
612.76
mp-1192956
3.16058
3.340577
-4.013641
other
Pd2Ru2N10Cl8O4
26
36
576.66
mp-1229224
11.960349
6.657624
-2.503386
other
Al2B4Pb12O14F14
46
36
707.96
mp-1228609
6.670799
11.050162
0.491056
other
Ba10Co8Pt2Cl2O26
48
36
739.55
mp-1180382
9.170305
7.577313
-3.176298
other
Na4Mn2In2Si4O18
30
36
441.89
mp-1197395
10.443748
4.180962
-6.008038
other
K4Mn6H12S6O32
60
36
733.69
mp-555137
6.477301
4.87345
-4.555039
other
K6Sb2N6O18F6
38
36
618.33
mp-1019531
3.038839
2.517962
1.698691
other
Ba2Al4Si6N8O8
28
36
378.06
mp-769129
6.462284
4.785575
-4.581934
other
Li6Sb2N6O18F6
38
36
516.36
mp-1204705
8.282565
3.83932
-6.484504
other
Cs12Mo8C20S4O54
98
36
1,903.33
mp-1104149
2.550286
3.082436
-4.254475
other
K2Pt2N2Cl6O2
14
36
359.72
mp-1201439
12.13267
5.962553
-2.602766
other
Ca2V2Si8H12O30
54
36
671.11
mp-559765
2.653033
2.639132
-5.132232
other
K2Hg4S2Cl6O6
20
36
487.35
mp-1211919
0.95428
2.157327
-4.100667
other
K2H4Os2Br8N2
18
36
562.98
mp-1106210
2.784436
3.270201
-4.381445
other
K2Os2N2Cl8O4
18
36
446.39
mp-1180939
2.139842
2.745673
-3.966285
other
K2Os2Br8N2O4
18
36
480.2
mp-1189737
2.855203
3.140314
-4.151925
other
Hg4S2N2Cl6O6
20
36
555.67
mp-677212
10.297205
11.443955
3.099511
other
Ba6Li2Ta6Ti10O42
66
36
860.72
mp-510629
10.294384
4.402939
-5.740558
other
K4Co6H12S6O32
60
36
685.84
mp-1229317
8.225042
0.838023
-4.480817
other
Cd6H72C20N10Cl22
130
36
1,673.16
mp-686540
13.5109
5.341012
-6.84236
other
Na6Al4P4O16F6
36
36
413.83
mp-1518471
5.969504
8.729933
-0.344229
other
Sr1Eu1In1Bi1O6
10
216
152.13
mp-1518383
9.735976
9.689049
3.674516
other
Ba1Nd1Eu1Nb1O6
10
216
162.4