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-1227237
9.548053
12.113421
1.261254
other
Ca1Nb2Ga2Cu3O12
20
12
217.39
mp-1229082
7.343904
9.742996
0.979032
other
Ba6Ca12Cu15Hg3O37
73
12
1,000.93
mp-10804
13.766107
4.978959
-6.771486
other
Na2Y2P2O8F2
16
12
199.17
mp-558231
8.139822
9.849624
1.791105
other
Ba3Ho2Cu2Pt1O10
18
12
265.8
mp-690978
11.169111
10.343982
2.826136
other
La10Ti12S6Cl6O30
64
12
979.95
mp-1197826
11.059954
8.325271
-4.293659
other
K6V2Mo6H8O30
52
12
734.19
mp-558194
10.026777
11.260783
0.888213
other
Na2La2Mg2W2O12
20
12
250.01
mp-1044158
12.796525
10.145582
1.480403
other
Ti13Al4Si2Sb2O28
49
12
562.3
mp-2232576
11.861811
12.08631
-2.02293
other
Mg1V2Cd2Cu2O8
15
12
201.81
mp-1220989
10.026874
10.289742
2.302274
other
Na1Nd3Ti2Sb2O14
22
12
286.37
mp-1280674
12.214984
8.749277
-3.599884
other
Na1Mn2Mo2H3O10
18
12
208.97
mp-1235548
10.169035
10.201339
-0.839571
other
Rb2Li1Nb2Te2O12
19
12
293.31
mp-1173270
7.689477
10.888514
2.165812
other
Sr4La4Mn2Cu2O16
28
12
384.11
mp-2230004
8.512322
10.400301
-2.8274
other
Mg1Cr2Ag6Cl2O8
19
12
314.9
mp-2218064
10.95919
9.443486
1.027723
other
Y1Mg1Sb1Pb2O6
11
12
167.51
mp-1193253
9.570977
6.709852
-3.256132
other
Ca4Mg1B4C2O18
29
12
327.46
mp-733972
5.156477
3.319215
-3.825087
other
Ba2C4S4N4O4
18
12
378.94
mp-818519
13.818125
7.737079
-0.975108
other
Na1Ca2Fe5Si8O24
40
12
482.35
mp-1211032
12.67042
6.535647
-0.967928
other
Mg1U2Si2H4O12
21
12
337.18
mp-2218795
9.705009
9.74223
0.076982
other
Na3Mg1Cu2Sb1O6
13
12
181.69
mp-1233969
11.381779
9.36333
2.474605
other
K2Ca1Nd4Nb2O12
21
12
341.29
mp-697558
8.625145
1.793391
-4.250776
other
Sb2H24C4N12F10
52
12
569.48
mp-1225907
-4.345286
1.412789
2.830294
other
Er4Lu1Ni10B10C5
30
12
319.32
mp-1234725
11.875064
11.176079
-1.675011
other
Ho2Mg1Ag2W4O16
25
12
333.26
mp-2227055
11.941475
9.813037
2.375173
other
Sm2Mg1Ti2Cl2O6
13
12
201.11
mp-644418
9.176728
3.187216
-5.527656
other
Ca2H4C2Cl2O6
16
12
198.18
mp-1106046
8.450493
3.929272
-5.842378
other
Cr1H4C4N1O10
20
12
265.39
mp-1044864
12.350418
11.774199
0.061192
other
Al4Cr13Si2Sb2O28
49
12
577.12
mp-726386
9.544783
10.604106
-3.820594
other
K5Na1V2Mo6O30
44
12
691.89
mp-1227781
7.628908
11.949625
-0.253753
other
Ca1Ga2Cu3Ru2O12
20
12
207.21
mp-2233226
11.840805
9.877993
2.078664
other
Ba3Mg1Mn1Nb2O9
16
12
239.12
mp-1236409
10.173727
10.228166
-0.792827
other
Rb2Li1Nb2Te2O12
19
12
295.18
mp-1194694
7.61386
1.996843
-4.392254
other
Mn2Cu1H16C4N22
45
12
485.1
mp-696878
12.85403
5.546207
-5.996191
other
K3Ca1P2H1O8
15
12
217.49
mp-1235490
1.521149
2.716511
-5.899803
other
Rb2Li1Pu1Cl4O2
10
12
276.26
mp-2232293
11.593327
11.887554
-2.475026
other
Na2Mg1V2Cd2O8
15
12
233.99
mp-1212702
11.139383
7.636058
-5.08771
other
Fe2As2H2Pb1O10
17
12
205.9
mp-1208134
8.315005
7.28028
-4.006205
other
Tl1Cu2H1Se2O10
16
12
223.68
mp-2224836
10.684281
10.587118
3.051186
other
Eu2Mg1Ti2Cl2O6
13
12
201.42
mp-1181888
8.636937
1.031888
-4.195745
other
Cr1H12I1N4Cl2
20
12
288.59
mp-1190805
11.770354
4.929977
-5.455263
other
Ce2P4H4C2O12
24
12
293.5
mp-1214742
13.444188
8.323228
-0.606199
other
Ca2Al4Si8W9O24
47
12
766.81
mp-2228614
11.095371
11.975119
-2.766328
other
K3Yb1Mg1V2O8
15
12
265.93
mp-2232781
11.978218
11.138295
2.085922
other
Mg1Ti4Pb2O9F2
18
12
245.23
mp-697556
9.685896
2.843011
-4.446711
other
Cr2Cd1H14N4O8
29
12
281.93
mp-1199739
9.246787
2.776764
-4.30823
other
Mo8H36C8N4O28
84
12
921.19
mp-1193339
11.870088
5.252773
-5.095181
other
K2Cu1P4H8O15
30
12
414.14
mp-6829
8.088734
9.868305
1.78775
other
Ba3Y2Cu2Pt1O10
18
12
268.76
mp-1235041
11.261989
11.775692
-2.491436
other
Rb3Li1Tb1V2O8
15
12
275.1
mp-2228697
11.592752
11.56386
-1.861882
other
K3Y1Mg1V2O8
15
12
275.91
mp-1219365
-7.742167
0.760105
4.885545
other
Sm2Ga2Fe12Co3C1
20
12
266.32
mp-2217957
11.199443
10.827928
0.73032
other
Sr2Mg1Cu1W1O6
11
12
177
mp-1233680
10.259186
10.226082
-0.56994
other
Rb2Ca1Nb2Te2O12
19
12
301.58
mp-1199329
8.365656
4.492955
-6.238532
other
Gd4P4H4C8O24
44
12
646.59
mp-1196550
12.844385
6.445799
-0.701782
other
Ca2Mg5Si8H2O24
41
12
453.56
mp-1194879
13.032866
6.005818
-1.033743
other
Ca2Zr2Si12H8O34
58
12
763.51
mp-1227480
10.195099
10.908877
3.200017
other
Ca2Nd2Nb3Fe1O14
22
12
292.99
mp-1218690
7.441544
11.456189
1.950581
other
Sr8Mn6Cu4S4O15
37
12
540.87
mp-2228684
8.414508
10.648745
-3.110589
other
K3Na1Mg1Cr2O8
15
12
273.48
mp-1211637
12.791771
5.678928
-5.973612
other
K2Ca2P2H2O8
16
12
242.37
mp-1207906
10.435749
12.047471
-4.025399
other
V2Fe2Pb1O8F2
15
12
209.17
mp-600193
7.891322
3.595882
-4.871751
other
Cs4Pt2C4O8F8
26
12
472.09
mp-1229016
9.632544
11.341231
0.923968
other
Ba10Zn4Cu1W5O30
50
12
701.91
mp-1235128
10.74566
11.261644
-2.627014
other
Li1V2Bi2Pb2O10
17
12
308.97
mp-1044904
12.750637
10.202846
0.322818
other
Y4Si2Sb2W13O28
49
12
715.34
mp-1221081
10.078298
10.272233
2.185627
other
Na1Dy3Ti2Sb2O14
22
12
273.3
mp-1218810
10.464399
11.17657
1.302561
other
Sr2La2Cr3Mo1O12
20
12
248.96
mp-1044607
11.450293
11.662673
0.259838
other
Y4Mn13Si2Sb2O28
49
12
665.41
mp-2232201
9.676901
10.057123
0.287341
other
K4Na2Mg1Fe2O6
15
12
265.09
mp-1984978
11.432205
5.570516
-5.536226
other
Na2V6H12S4O28
52
12
542.84
mp-1223572
11.167353
10.345053
2.826336
other
La10Ti12S6Cl6O30
64
12
983.49
mp-1191555
12.043618
5.064586
-5.545972
other
Pu2P4H4C2O12
24
12
292.14
mp-744386
12.923812
7.255442
-0.428822
other
Al9Fe2Si4H1O24
40
12
379.17
mp-1181538
10.195046
8.670195
-3.516543
other
Fe1Mo6C8N2O20
37
12
639.05
mp-1173267
7.857008
10.740117
2.257095
other
Sr4La4Mg2Mn2O16
28
12
381.08
mp-684919
8.213155
0.841804
-4.530107
other
H16Pt1C4N2Cl6
29
12
387.11
mp-1211729
7.730402
9.805534
-3.823885
other
K1Cr2Fe1H2O8
14
12
214.66
mp-1233026
11.389972
9.371775
2.492413
other
K2Nd4Mg1Nb2O12
21
12
321.49
mp-698222
10.873188
3.487916
-4.442871
other
Cr2P4H30N4O22
62
12
591
mp-583429
7.410426
1.859845
-4.258505
other
Cu1H8C6N6O2
23
12
274.96
mp-650029
5.921721
3.422902
-4.707084
other
Fe6W2C28S4O28
68
12
1,195.63
mp-23975
8.192617
1.524885
-4.234317
other
Ni1H12C2S2N6
23
12
263.24
mp-2232389
8.068518
10.026405
-0.27173
other
Rb3Na1Mg1Ru2O8
15
12
304.83
mp-1200668
10.104356
5.102218
-6.205937
other
Cu2Si2Pb7S4O26
41
12
576.01
mp-1228371
7.509358
9.603828
0.970756
other
Ba8Ca4Cu8Hg4O25
49
12
775.85
mp-698298
7.628484
1.711017
-4.312864
other
Ni1H14C10N8O2
35
12
377.21
mp-1044649
9.184121
11.95037
-0.967971
other
Y4Si2Ni13Sb2O28
49
12
603.26
mp-10935
13.703548
5.099586
-6.693596
other
Na2Er2P2O8F2
16
12
194.37
mp-1221001
11.110135
7.573586
-7.191772
other
Na8Fe6P6O24F9
53
12
683.2
mp-1236120
1.518238
2.69395
-5.846646
other
Rb2Li1Pu1Cl4O2
10
12
282.03
mp-1214678
8.255111
2.683264
-5.086318
other
Ca2H12C12Br4O16
46
12
612.33
mp-2227277
13.691499
6.511715
-5.325684
other
Sr2Mg1Cu1P2O8
14
12
253.2
mp-557662
12.817668
6.503854
-0.520108
other
Ca2Mg5Si8O22F2
39
12
466.78
mp-699543
11.31305
11.046703
-3.468083
other
Na4Co10Mo8Cl8O32
62
12
989.36
mp-1209301
9.220114
6.074733
-4.272257
other
Rb1Cu2H3Se2O10
18
12
226.81
mp-2227375
11.65259
11.654297
-1.921855
other
K3Mg1Sc1V2O8
15
12
254.82
mp-2217352
11.582819
9.442439
2.277691
other
Ba2Pr1Mg1Nb1O6
11
12
188.14
mp-1211985
8.546782
1.866269
-0.468373
other
K6Zr4S2O12F18
42
12
667.8
mp-1233123
13.156924
9.046845
-0.693837
other
Mg1Fe4Si2Sn7O16
30
12
430.49
mp-1173649
10.313099
4.548254
-5.835736
other
Na1Ni2H3S2O10
18
12
173.13