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-1219693
7.721353
2.387607
-4.209459
other
Sb4H6C6S2Cl12O10F6
46
2
985.51
mp-1220771
4.023514
2.843616
-4.066488
other
Rb4Nb6C6S6N6Cl12O4
44
2
1,140.87
mp-1205251
7.653911
1.861787
-3.92678
other
Si4B2H36C62S2O6F46
158
2
2,043.14
mp-1199171
8.68812
1.828562
-4.497295
other
Co1H24C4S4N8Cl2O8
51
2
610.68
mp-1200476
8.28652
1.763318
-4.499012
other
Ag2H28C6S6N12Cl2O2
58
2
690.47
mp-1050641
8.05348
1.124913
-4.518697
other
Na6Bi4H84C36I18N12O18
178
2
2,899
mp-1194231
7.868592
0.215263
-4.459427
other
Na2Co2Si8H72C24N4O1
113
2
1,272.93
mp-1211060
12.696881
6.339005
-0.623551
other
Na5Ca7Zr2Ti2Si8O30F6
60
2
781.54
mp-605172
7.592513
1.239779
-4.326819
other
Cu6As4H32C32Br6N4O4
88
2
1,247.34
mp-720410
12.794336
6.305318
-0.755583
other
K4Na2Ca4Ti2Si14H2O40
68
2
882.41
mp-738637
8.036049
1.120957
-4.512002
other
Na6Bi4H84C36I18N12O18
178
2
2,899.24
mp-1223736
12.762685
6.319273
-0.650514
other
K6Na3Ti2Al2Si8Cl3O26
50
2
772.15
mp-1195293
8.439413
2.493935
-0.718503
other
Na4Sb10C4S4N4O6F18
50
2
874.03
mp-696989
8.504545
2.247978
-4.823107
other
Na2P2H10C4S2N6O8
34
2
410.4
mp-738718
10.514684
3.179263
-4.269098
other
Na10P6H96C8N2O54F6
182
2
1,727.87
mp-1215002
8.387844
2.203794
-4.60621
other
Ag4H16C4S4N10Cl2O6
46
2
600.07
mp-1201753
8.48261
1.979635
-4.536302
other
Zn2Co2H44C10N20Cl8O12
98
2
1,192.1
mp-1205229
8.684054
1.833354
-4.489844
other
Ni1H24C4S4N8Cl2O8
51
2
597.04
mp-722316
8.497182
2.240704
-4.802183
other
K2P2H10C4S2N6O8
34
2
443.14
mp-1210688
14.410834
4.688108
-6.602372
other
Na11Ti1Nb2Si4P2O24F2
46
2
598.22
mp-743972
13.96769
7.803804
-1.126905
other
K2Na1Nb2Fe7Si8H4O31
55
2
696.93
mp-721086
10.568032
3.326999
-4.786167
other
Li2Cu1P6H20C2N6O22
59
2
611.8
mp-1202559
9.442355
1.886851
-4.447346
other
Ga12P16H112C28N14O64F2
248
2
2,540.56
mp-1199187
8.703466
1.776767
-4.523145
other
Zn2H24C4S4N8Cl4O8
54
31
670.89
mp-1209817
4.849767
3.147788
-3.756062
other
Re4H4C4S4N8Cl12O4
40
29
1,046.32
mp-1198643
8.415796
2.042696
-4.559865
other
Zn4H48C12Se4S12N24O16
120
29
1,462.03
mp-744190
8.58149
1.321998
-3.782962
other
K4Mo4H24C8N2O6F18
66
39
885.21
mp-711343
5.014559
2.996146
-3.734004
other
H16Ru8C64S24N8Cl24O24
168
33
4,467.31
mp-1233282
9.030943
2.322876
-4.608591
other
Mg1Zn1H20Pt1C4N4O12
43
44
443.15
mp-1205154
7.905054
0.337286
-4.493919
other
Ga2Si6P2H60C20N4Cl8
102
4
1,361.34
mp-1210786
12.711067
6.558396
-0.446213
other
Na4Ca8Zr2Nb2Si8O32F4
60
4
802.84
mp-1200911
8.594466
1.151069
-4.371377
other
Mn2P2H30C6N2Cl6O6
54
4
625.63
mp-6903
12.758101
6.172378
-0.67626
other
Na4Ca8Zr2Nb2Si8O34F2
60
4
796
mp-1221911
12.75173
6.148015
-0.690372
other
Na4Ca8Zr2Nb2Si8O34F2
60
4
808.71
mp-738707
7.951958
0.367265
-4.467539
other
Si4P4H72C24I4N4Cl4
116
45
1,492.5
mp-1218668
8.133136
9.89865
1.556439
other
Sr6Ca1Y2Ti1Cu6Hg2O20
38
47
531.95
mp-1221913
12.184774
7.030115
-1.415855
other
Na6Mg4Mn8Be12Si18Sn6O78
132
5
1,519.58
mp-1223701
12.936855
5.606555
-5.878944
other
K1Rb1Mn2Ga4P6H8O28
50
5
607.48
mp-605018
8.85675
2.194357
-4.611514
other
Na4Ag4H64C16S16N8O40
152
52
1,812.05
mp-721059
8.564095
2.66753
-4.646809
other
H32Au4C8S8N16Cl4O16
88
54
1,117.64
mp-1196552
8.096369
1.752175
-4.464952
other
H104Os4C24S24Br12N48O4
220
56
2,980.22
mp-1236476
8.19001
9.471667
1.414686
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
6
226.9
mp-1235697
8.271857
9.414732
1.485808
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
6
206.12
mp-1235341
7.973571
9.467359
1.3752
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
6
217.2
mp-1235195
8.17266
9.493614
1.409437
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
6
223.44
mp-1235631
8.261958
9.402892
1.485243
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
6
204.19
mp-705526
8.312816
1.630613
-4.466877
other
H64Au4C24S8N16Cl4O16
136
60
1,565.33
mp-1195007
9.911738
2.047486
-4.072301
other
Al8Zn8B40H128C32N32O80
328
61
3,168.47
mp-720895
8.130869
1.757711
-4.562202
other
Re4H88C16S16N32Cl32O12
200
62
2,746.26
mp-1195948
4.96483
2.538917
-3.7727
other
Ag4H4Pb4C8S4N8O4
36
62
664.17
mp-651073
7.697314
2.356934
-1.688711
other
Cd4As8C16S4N16O8F48
104
62
1,672
mp-1213094
10.843781
3.730997
-4.553493
other
K4Na4Cu4P16H72N16O60
176
62
1,869.82
mp-698252
6.541624
3.768734
-4.009488
other
K4V8H8C32N8O20F20
100
62
1,732.44
mp-706285
5.697808
2.410688
-3.951575
other
Na8H16Pt4C16Br8N16O8
76
62
1,203.25
mp-1196439
8.115763
0.657788
-4.480851
other
Sn8P4H128C44N12Cl8O4
208
62
2,732.29
mp-643643
7.153741
2.22248
-4.176274
other
Ba4H8C4S4N4Cl4O4
32
62
582.41
mp-1212142
5.551986
2.210926
-4.115831
other
K4Cu8H8C8Br4N8O4
44
62
779.62
mp-24765
7.33963
2.148179
-4.371584
other
K2Ho2H16Ru2C12N12O8
54
63
683.59
mp-1197449
7.823868
1.755759
-4.388562
other
H32Os2C8S8Br16N16O6
88
63
1,545.6
mp-707926
8.123906
1.780509
-4.547596
other
Re2H44C8S8N16Cl16O6
100
63
1,364.93
mp-1204309
8.024071
1.692655
-4.419663
other
Sb4H32C8S8Br12N16O4
84
64
1,531.4
mp-1196770
6.288994
2.096143
-3.992252
other
Rb8Na4Mn4H24C20N22O12
94
64
1,498.28
mp-1218785
7.005239
10.119586
0.77699
other
Sr8Ca3Nd1Tl2Cu8Pb2O28
52
69
712.11
mp-1201766
9.753262
2.508756
-4.497977
other
Na2Cu2H56C2S12N8O28
110
7
1,155.61
mp-1235008
9.008893
2.304379
-4.576442
other
Mg1Zn1H20Pt1C4N4O12
43
71
487.88
mp-1212630
13.585749
8.491868
-0.785187
other
K2Ba1Na2Ti4Si8W4O28
49
8
725.6
mp-1233381
9.131133
2.21731
-4.608096
other
Mg1Zn1H20Pt1C4N4O12
43
8
384.39
mp-1210262
12.563857
6.520356
-0.721161
other
Na4Ca4Be4Al1Si7O24F4
48
82
566.72
mp-643446
10.847145
4.304947
-5.286973
other
Ca2Al1H8S2Cl1O12F2
28
87
320.46
mp-1195904
9.302598
1.593092
-4.475929
other
Al2Zn2B10H42C12N10O20
98
9
890.61
mp-696179
7.395978
2.291409
-4.392979
other
K2Na2H12Pt2C8N8O6
40
9
531.99
mp-1225035
8.37098
0.884852
-4.43132
other
La2P4H88C28N14Cl8O4
148
9
1,612.98
mp-1194814
8.752228
1.37258
-3.6111
other
Hg2Te10H72C24N6O10F50
174
9
2,158.76
mp-1203926
9.09217
2.549454
-4.616014
other
H26Ru2C12S2N8O16F18
84
9
945.98
mp-510635
13.493705
7.149127
-0.831492
other
K2Na4Li2Ti4Fe4Si16O48
80
9
969.39
mp-1229095
9.117925
10.138972
2.974256
other
Ba2Ca1Ce1Gd2Ti2Cu2O14
24
99
316.39
mp-1202468
8.418197
1.022749
-4.453266
other
U4P8H144C48Br8N24O16
252
92
2,928.49
mp-1221915
12.895264
6.618242
-0.951745
other
Na4Ca4Zr4Mn2Fe2Si8O34F2
60
1
756.97
mp-1224604
13.391455
6.97883
-0.846458
other
K2Na4Li2Ti4Mn3Fe1Si16O48
80
1
979.12
mp-1221086
13.385141
6.939244
-1.655276
other
Na1Mg3V3Cr3Si6B3H3O31
53
1
592.15
mp-562835
8.00909
1.013989
-4.53266
other
Ga2Co2P2H36C18N2Cl4O6
72
11
940.53
mp-1213587
13.648466
8.425838
-0.809634
other
K4Ba2Na4Ti8Mn1Si16W8O58
101
12
1,476.96
mp-1204520
7.521008
0.395785
-4.078145
other
Ag4B40P8H160C60N4Cl8O12
296
14
3,323.71
mp-1201374
4.942043
2.777948
-3.667555
other
Cs4Ca2Ag4H8C12S12N12O4
58
14
1,316.03
mp-1204081
8.179749
0.635137
-4.483495
other
Cu12Mo4H96C32S12I12N8O4
180
14
2,808.41
mp-863003
13.421991
6.357147
-1.324647
other
Na1Al6Fe3Si6B3H3O30F1
53
160
542.16
mp-746679
8.46665
1.061078
-4.536527
other
Co2P4H48C16S8N2Cl2O8
90
2
1,073.99
mp-728472
8.463721
1.04915
-4.547302
other
Fe2P4H48C16S8N2Cl2O8
90
2
1,082.18
mp-707264
9.678482
3.862622
-5.388846
other
Na2Ca6U2H32C6S2O50F2
102
2
1,149.51
mp-1201468
8.781423
1.589224
-4.406924
other
K2P2H24Pt2C4N4Cl4O8
50
2
614.25
mp-1221189
12.223135
6.563709
-1.241665
other
Na5Ca7Zr2Ti1Mn1Si8O32F4
60
2
777.64
mp-1221604
13.004572
5.816452
-6.061979
other
Na4Ca2Mn2Al4P4H4O20F8
48
2
496.3
mp-1214950
13.012628
6.693093
-0.731184
other
Ba2Na1Ce2Ti2Fe1Si8H1O27
44
5
577.05
mp-1223707
13.417576
7.027554
-0.843546
other
K2Na4Li2Ti4Mn2Fe2Si16O48
80
9
970.74
mp-1213447
12.321283
7.378032
-1.755825
other
K1Ba1Na1Ca1Ti4Fe8Si8O38F2
64
10
798.68
mp-1215061
13.739526
8.040988
-0.758696
other
Ba4Na2Ti4Mn2Re4Si16H2O52F2
88
40
1,129.18
mp-1221055
13.1117
6.059818
-1.100149
other
Na1Mg2Al6V1Si6B3H3O31
53
8
542.39
mp-2716079
14.17199
4.615199
-7.36706
other
Na15La6Ti6Si3P15O72
117
1
1,709.79
mp-2714759
12.209938
3.962495
-7.955626
other
Na15Zn6In6P9S9O72
117
1
1,586.74
mp-2716076
13.118189
3.228104
-8.410012
other
Na42Hf6Mg18Si15S21O144
246
1
3,206.68