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-695026
7.700202
9.137547
-1.303638
other
Na2Yb6Ti4Sb4O28
44
13
552.22
mp-1200764
10.206698
2.355548
-3.686169
other
Al4H32N8O8F20
72
13
606.24
mp-557475
10.836629
9.836528
-2.1401
other
Ba2Bi24Mo8W2O68
104
13
1,768.22
mp-23686
8.490969
3.3097
-5.661525
other
Ca2Cu2H8C8O16
36
13
423.3
mp-1204668
10.487744
9.24692
-1.581418
other
Na4Lu6Te8I6O24
48
13
836.22
mp-746371
11.327109
7.565742
-4.756776
other
K4Co8As8H4O32
56
13
722.29
mp-1200795
12.873532
6.178561
-0.842991
other
K4Al12Si12H8O48
84
13
967.31
mp-555392
8.039819
7.100322
-2.482815
other
K12Na2Au4I2O16
36
13
691.94
mp-1201699
12.15712
7.168797
-7.462902
other
Na8Mn4P4O14F12
42
13
537.3
mp-699403
10.029839
10.871131
2.322593
other
Ba2La6Ti2Cr6O24
40
13
496.21
mp-1195801
8.765297
1.306119
-4.212868
other
Mn4As8H64S32N16
124
13
1,799.21
mp-1204000
9.161517
8.819273
-2.660689
other
Yb6Cu6Te8Cl12O24
56
13
1,058.73
mp-684865
6.685559
11.603903
1.316387
other
Sr4La4Mn4Fe4O24
40
13
480.5
mp-1210330
11.796142
7.152993
-0.6452
other
Na8Zr4Ge10H2O32
56
13
814.77
mp-1192412
4.254906
2.346544
-3.156282
other
Rb2Cu2Ag4C8N8
24
13
471.38
mp-1197930
13.57418
4.657849
-1.691553
other
Cs4Li8Gd16B20O60
108
13
1,366.07
mp-781555
12.556437
4.167768
-3.114337
other
Ca2Mg2B12H24O34
74
13
644.85
mp-1204304
7.635551
1.741864
-4.431426
other
Co2H40C44N20O12
118
13
1,393.96
mp-850747
14.470647
7.737622
-5.648951
other
Li4Fe8P8H4O32
56
13
640.49
mp-40478
10.07995
10.276453
2.188649
other
Na2Dy6Ti4Sb4O28
44
13
549.55
mp-1194707
8.484319
2.125976
-4.613706
other
H36Rh2C8N14O16
76
13
833.63
mp-770725
12.802238
5.475754
-3.019192
other
Rb2Li4Mn4B6O18
34
13
433.48
mp-849322
14.192547
7.918072
-6.730322
other
Li2V2P6H2O20
32
13
414.14
mp-1218219
7.55422
10.972094
1.250823
other
Sr4Nd4Co4Ru4O24
40
13
489.91
mp-770633
11.437433
6.077725
-3.482843
other
Rb2Li4Co4B6O18
34
13
417.04
mp-541071
13.808528
5.335107
-7.041408
other
K4Zr4P8H4O32
52
13
778.37
mp-677431
10.367505
11.610043
3.317949
other
Na6Sr2Ti2Nb6O24
40
13
503.61
mp-691117
8.522953
11.314978
2.570338
other
Sr4La4Ti4Mn4O24
40
13
493.45
mp-559223
8.883389
3.087023
-5.60687
other
Gd2H12C8N2O18
42
13
466.88
mp-1196171
9.918785
6.165947
-3.901281
other
Li8Sc8H16Se16O56
104
13
1,414.64
mp-40685
10.049178
10.251914
2.248125
other
Na2Sm6Ti4Sb4O28
44
13
565.25
mp-695512
10.152781
11.475404
3.253298
other
Na6La2Ti4Nb4O24
40
13
483.37
mp-1195894
13.431295
4.797954
-1.624526
other
K18Li6Nd6B14O42
86
13
1,254.43
mp-558745
10.28999
4.439299
-6.809043
other
Rb8Np2S4Cl2O20
36
13
732.31
mp-769329
14.285321
5.813679
-2.228832
other
Rb2Li4B6Sb4O18
34
13
471.02
mp-735600
9.460353
6.888946
-3.588112
other
Sr4Co8H8Se16O48
84
13
1,139.7
mp-554797
6.031672
4.005717
-4.451923
other
K12Cr4C12N12O16
56
13
1,044.85
mp-1203996
8.653827
2.539983
-5.036493
other
Sn4H20C16N4O26
70
13
878.33
mp-727956
5.847073
3.450322
-4.628093
other
Mn6P6H12C24O24
72
13
1,080.49
mp-642974
10.692089
9.992049
-2.093483
other
Sr2Cr2Bi24Mo8O68
104
13
1,725.97
mp-1198448
12.867403
6.217916
-0.955946
other
Na4Al12Si12H8O48
84
13
895.05
mp-772424
14.844364
6.33071
-1.995464
other
Rb2Li4V4B6O18
34
13
434.41
mp-774524
10.011829
11.025353
3.239145
other
Li6La10Ti12Nb4O52
84
13
1,042.47
mp-1213917
8.983112
6.990368
-3.73165
other
Cd4Hg4H2Se4O20
34
13
551.52
mp-1196852
9.632215
3.7371
-4.17314
other
Pr4H40N4Cl8O32
88
13
1,019.87
mp-1196446
10.196656
3.096474
-4.094895
other
Li12As4H64S16O32
128
13
1,429.25
mp-642975
10.67034
9.917878
-2.090999
other
Cr2Bi24Mo8Pb2O68
104
13
1,722.95
mp-736386
8.553002
0.908254
-4.46894
other
V4H96C16N16Cl28
160
13
1,885.21
mp-780391
11.729402
7.607913
-7.541377
other
Li2Mn2P6H2O20
32
13
399.02
mp-1205438
8.471748
3.269715
-5.647204
other
Sr2Cu2H8C8O16
36
13
462.28
mp-1200666
12.997315
6.010605
-6.662084
other
Cs2Ga2P6H2O20
32
13
459.38
mp-1195601
9.760952
4.793882
-6.700891
other
K10Na6Cu16S16O72
120
13
1,705.54
mp-40451
9.968766
10.258038
2.119898
other
Na2Gd6Ti4Sb4O28
44
13
559.2
mp-1197745
13.564264
5.732623
-7.22311
other
Cs2Ti4P6O20F8
40
13
650.58
mp-770630
14.351524
5.182263
-2.570174
other
Rb2Li4Cr4B6O18
34
13
388.11
mp-1226411
6.534225
5.996936
-3.73613
other
K4Mg4Br6Cl6O24
44
13
921.22
mp-40484
10.025969
10.28782
2.300219
other
Na2Nd6Ti4Sb4O28
44
13
574.69
mp-1180541
10.35137
6.442732
-3.714602
other
Na4Ti8Si4H16O36
68
132
782.29
mp-1522221
7.473468
8.904191
0.002591
other
K4Sr4Tb4Sb4O24
40
134
603.66
mp-1520127
11.21159
10.851765
0.986382
other
Ba4Y4In4W4O24
40
134
612.9
mp-721415
9.021162
1.557443
-4.141313
other
Cu2H24N4Cl8O4
42
136
464.47
mp-1173071
8.731718
1.441609
1.331726
other
K4Na2Nb2O4F8
20
136
321.05
mp-604996
9.039568
1.564625
-4.133982
other
Cu2H24N4Cl8O4
42
136
477.04
mp-628617
10.240714
7.849554
-0.428844
other
Cs8K4Cu2Si4O16
34
136
693.22
mp-24559
9.624413
3.037093
-4.016371
other
Rb4Cu2H8Cl8O4
26
136
491.1
mp-707284
8.300606
0.734727
-4.439093
other
H48Pd2C16N4Cl8
78
136
935.04
mp-696384
9.783742
3.152604
-3.956482
other
K4Cu2H8Cl8O4
26
136
441.91
mp-1211605
11.090399
12.228597
-3.296703
other
K4Rb4Mn4V8O28
48
136
892.23
mp-24103
8.955971
1.565468
-4.128532
other
Cu2H24Br8N4O4
42
136
545.61
mp-707249
8.618944
1.081762
-4.408555
other
H48C16S2N4O8
78
137
667.08
mp-569124
8.504399
0.827486
-4.462395
other
Mn4H48C8N8Cl16
84
138
1,045.07
mp-1194613
8.476169
0.846239
-4.503416
other
Fe4H48C8N8Cl16
84
138
1,039.63
mp-556871
11.735244
7.383633
-7.253279
other
Na24Fe16P16O64F24
144
135
1,812.15
mp-550306
9.609936
8.412069
-0.173611
other
Y1Cu2Bi2Se2O4
11
139
185
mp-1177974
11.825095
10.111244
2.523482
other
Li2La3Ti2Nb2O13
22
139
270.26
mp-1208789
8.112624
9.687877
1.493546
other
Sr2Pr2Tl2Cu3O10
19
139
278.11
mp-1228570
7.528566
9.685185
1.117814
other
Ba4Ca8Cu11C1O20
44
139
641.15
mp-1047851
12.171598
10.21157
1.873397
other
Ba2Ti4Tl2Zn3O12
23
139
346.59
mp-2229494
11.826217
10.05605
2.327085
other
Na2Gd2Mg1Ti3O10
18
139
239.55
mp-1342134
12.186912
10.070318
1.964895
other
Ba2Mg3Ti4Tl2O12
23
139
342.46
mp-1275541
7.498066
11.061689
1.923595
other
Sr3Mn2Cu2S2O5
14
139
211.5
mp-1214767
8.066917
9.664537
1.035344
other
Ba2Gd1Cu2Hg2O8
15
139
225.22
mp-2229350
11.445997
10.365596
2.618384
other
La2Mg1Ti3Ag2O10
18
139
285.17
mp-1078706
8.208486
8.695127
1.41019
other
Ba2Co1Cu2S2O2
9
139
158.64
mp-2229127
11.764181
9.957788
2.413945
other
Na2La2Mg1Ti3O10
18
139
244.66
mp-1048574
8.44526
11.633206
1.178788
other
Ba2Mn4Tl2Zn3O12
23
139
340.55
mp-556574
7.420002
9.760171
0.687631
other
Ba2Ca3Tl2Cu4O12
23
139
335.81
mp-557602
9.114827
9.28058
1.443459
other
K1Ba4Au1C4O4
14
139
295.07
mp-1843918
12.368301
10.078819
0.42416
other
Ba2Ca3Tl2W4O12
23
139
389.01
mp-9453
8.682743
8.680915
1.970762
other
Sr2Zn1Cu2S2O2
9
139
145.06
mp-561182
7.859877
9.383834
0.669054
other
Ba4Tl2Cu2Hg1O10
19
139
334.54
mp-1208746
9.096595
9.514816
1.416422
other
Sr2Tb1Cu2Bi2O8
15
139
220.92
mp-1208811
9.218721
9.591283
1.394205
other
Sr2Lu1Cu2Bi2O8
15
139
218.29
mp-1232335
0.218507
2.174074
-4.084635
other
Na2Li2Cu1Br2O2
9
139
170.48
mp-1048012
10.639805
9.144494
0.866679
other
Ba2Ca3Tl2Sn4O12
23
139
412.71
mp-2218267
12.054426
9.600158
2.336072
other
Pr2Mg1Ti2S2O5
12
139
180.92
mp-1368253
10.978496
9.179631
0.742828
other
Ba2Mg3Tl2Sn4O12
23
139
396.78
mp-1222091
10.566305
10.873089
1.578177
other
Mg1Ti2Pb4W1O12
20
139
259.48
mp-1371798
7.604142
10.027526
0.322392
other
Ba2Tl2Zn3Cu4O12
23
139
303.76
mp-1214673
7.500895
9.895095
1.40501
other
Ba2La2Tl1Cu2O9
16
139
238.14