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-13829
-4.645654
-1.648022
-5.786234
other
Tl2Cu6S4
12
12
215.23
mp-1210267
-3.585859
-1.506285
-5.496957
other
Na4Zr2S6
12
12
251.25
mp-752635
6.334701
13.937
-2.133963
other
Li1Co3O6
10
12
96.43
mp-776387
1.436463
1.834301
2.564047
other
Ti8N8O4
20
12
225.85
mp-3471
-6.37624
0.879594
2.770925
other
La2Ni5B4
11
12
138.86
mp-1101156
1.762414
1.749402
2.962446
other
Zr5N5O2
12
12
147.32
mp-1224776
-2.657194
-2.780613
-5.396178
other
Gd3Sc2S7
12
12
260.04
mp-1174026
4.016345
19.504366
-1.852704
other
Li6Co4O10
20
12
176.41
mp-1048148
8.297245
8.088645
-2.73906
other
Al2Cu3O6
11
12
125
mp-1206230
8.613107
8.628829
-0.06745
other
Rb2Tl2O2
6
12
154.27
mp-1217568
-2.161747
0.440421
2.402425
other
Tb1Dy1C4
6
12
84.61
mp-545467
7.880817
12.09765
-0.44451
other
Li3Cu2O4
9
12
85.97
mp-1101680
8.319088
14.848317
-0.977088
other
Na9Mn15O32
56
12
658.94
mp-849695
5.546544
12.047237
-1.81531
other
Li4Fe2O6
12
12
102.43
mp-1189182
8.720771
14.668397
-0.696172
other
La1Mn7O12
20
12
219.22
mp-1232166
-3.107081
-2.189417
-5.862914
other
Y4Mg4S12
20
12
511.4
mp-1205659
-5.31395
-3.859323
6.137506
other
Tm4Co2Si4
10
12
179.34
mp-619571
-3.081236
-2.545664
-4.13387
other
Sc1U8S17
26
12
593.05
mp-28770
1.194437
2.029487
1.536457
other
Ca4Fe2N4
10
12
154.72
mp-776273
1.798857
1.719253
2.743314
other
Zr12N12O6
30
12
376.13
mp-1226346
-6.493007
-2.362964
-1.74188
other
Cr3Te2Se2
7
12
159.63
mp-1290452
11.759235
13.579395
-1.955827
other
Mg4V6O16
26
12
285.93
mp-704235
9.556811
7.994802
-6.186661
other
Ni7P6O24
37
12
465.39
mp-761115
12.231904
11.056138
-1.147423
other
Na7W8O24
39
12
489.02
mp-10477
-4.533231
-2.809074
-4.070059
other
Rb2Ag6Se4
12
12
301.48
mp-21138
11.088941
10.26325
-2.938445
original
Mo2Pb4O10
16
12
279.11
mp-1200469
-2.679594
-2.820686
-5.477591
other
Nd4Er11S22
37
12
872.41
mp-14333
11.329844
11.032695
2.443906
other
Ta2Al2O8
12
12
141.14
mp-1216632
-7.694574
-3.559379
5.135303
other
Tm2Ni2Ge2
6
12
105.35
mp-761189
5.859995
12.219337
-1.940629
other
Li2Fe2O6
10
12
96.44
mp-676108
10.325904
9.365514
3.693457
other
Gd8Zr7O26
41
12
601.24
mp-1284292
12.367064
11.750413
-1.121963
other
V4Re4O16
24
12
262.54
mp-1214964
-5.63806
-6.195724
0.964039
other
Ca42Cd8Bi36
86
12
2,733.57
mp-1174371
4.094497
19.652826
-1.819772
other
Li8Co6O14
28
12
250.26
mp-1025263
-4.391635
-0.203027
-4.438842
other
Ti2Ni1S4
7
12
113.85
mp-14435
-4.651032
-3.015903
-3.767404
other
K6Ge2Se6
14
12
443.56
mp-1394351
7.702499
8.105594
-3.37358
other
Al1Cu3O6
10
12
132.88
mp-757116
9.150845
8.501153
0.39901
other
Rb6Er2O6
14
12
329.07
mp-1220644
-7.172829
-0.533644
4.316185
other
Nd2Mn22C3
27
12
318.79
mp-18842
10.286922
12.594761
-3.910499
other
Tl1V4O10
15
12
215.24
mp-568634
-6.388216
-5.390261
4.132372
other
Yb6Ga8Ge12
26
12
554
mp-674537
9.558414
8.619009
-0.357272
other
Ba2Bi6O11
19
12
353.81
mp-573908
-3.941412
-5.597719
5.263457
other
Sr11Mg2Si10
23
12
648.36
mp-1173879
4.292826
18.285709
-1.864371
other
Li8Co4O12
24
12
189.17
mp-1404745
9.052896
13.370617
-1.062472
other
Ca2Cr3O8
13
12
158.67
mp-546111
7.863396
10.407545
-3.662805
other
Cr6Ag2O16
24
12
316.42
mp-1219536
-5.857677
-2.075948
1.68284
other
Re2Ge2As2
6
12
99.63
mp-1079667
-7.60234
-3.555661
5.441964
other
Tm4Co2Ge4
10
12
187.28
mp-754745
9.996776
9.447762
0.323794
other
Na4Sn2O6
12
12
143.51
mp-1446325
1.55501
2.080132
2.147618
other
Ti2Zn4N4
10
12
122.36
mp-9158
7.270106
12.095322
-0.795505
other
Li1Cu1O2
4
12
36.94
mp-1223915
-8.295424
-4.834427
3.549691
other
Ho2Ge2Pd2
6
12
118.66
mp-542897
7.730823
10.476808
0.652755
other
Ba6Ir6O18
30
12
427.22
mp-754656
8.138392
17.478233
0.014262
other
Li1Mn1O2
4
12
36.74
mp-760582
9.458627
0.712519
0.971451
other
Li4Ag2F6
12
12
135.43
mp-4386
9.366352
5.475457
-6.22712
other
Cu4S2O10
16
12
188.95
mp-1102674
8.806013
8.838274
-2.316921
other
Hg4Sb1O6
11
12
188.16
mp-675219
-3.183468
-2.0281
-5.280917
other
Ba9La2S12
23
12
768.91
mp-32533
10.724795
11.22467
-2.726666
other
Na2W4O13
19
12
277.13
mp-754755
9.922091
2.490093
1.648704
other
Li2V2F8
12
12
160.85
mp-1248317
6.698963
13.418115
-1.902483
other
Al4Co4O14
22
12
197.16
mp-1208854
-6.479851
-4.081004
0.74417
other
Sm3As6Pd9
18
12
325.05
mp-726392
6.659417
5.948802
-4.13232
other
Zr2N2O12
16
12
278.5
mp-1209066
-3.657619
-1.850334
-4.531258
other
Sb4As2S4
10
12
253.39
mp-1219678
-7.480672
-5.63482
6.286788
other
Pr2Al2Zn2
6
12
134.02
mp-510240
-3.87401
-1.668235
-5.430799
other
Rb4Ag8S6
18
12
437.54
mp-1205335
-3.883127
-1.581402
-5.459526
other
Rb2Ag6S4
12
12
287.21
mp-1212736
13.775573
7.732421
-1.144595
other
Fe7Si8O24
39
12
470.92
mp-31484
-6.32401
-6.275471
1.339708
other
K8Ga2Au16
26
12
654.77
mp-989616
0.73722
2.437264
1.975044
other
Ca2W2N6
10
12
145.96
mp-989589
0.927078
2.248306
1.841728
other
La2Mn2N6
10
12
139.64
mp-1253319
7.219234
9.64958
-2.662358
other
Al8Co6O24
38
12
395.91
mp-753158
6.648699
13.106949
-2.387658
other
Ti1Co2O6
9
12
102.77
mp-756396
5.342722
12.099944
-2.427712
other
Fe8O12F4
24
12
263.35
mp-1221968
-4.528925
-1.722142
-6.486633
other
Mg1Zn3S4
8
12
135.35
mp-1400342
6.312417
13.527241
-2.143191
other
Zn2Co3O8
13
12
130.35
mp-1218442
7.818269
10.334241
0.732085
other
Sr3Ir2O7
12
12
165.74
mp-1246410
1.684451
2.501319
1.414598
other
V2Cd8N8
18
12
274.31
mp-996973
8.072276
10.22913
-0.970757
other
Cu1Hg1O2
4
12
59.15
mp-30946
-1.083992
2.520696
-3.158264
other
Ga2Pd1I8
11
12
471.92
mp-1227350
-6.995654
-6.604898
3.450137
other
Ca2Ag2Ge2
6
12
133.65
mp-28712
11.4451
7.669298
-3.102509
other
Si2Hg6O7
15
12
256.73
mp-1383152
1.839872
2.204398
1.425409
other
Zn4Cu2N4
10
12
127.77
mp-761501
7.414654
13.800374
-1.983576
other
Mn2Co1O6
9
12
104.67
mp-1079041
1.93929
2.442301
-3.359575
other
Cd1I4N4
9
12
308.51
mp-1220139
-8.023687
-4.482378
3.908606
other
Nd2Ge2Pt2
6
12
126.15
mp-755555
7.801373
13.975061
-1.805143
other
Mn5Co1O12
18
12
211.42
mp-1214985
8.2722
4.536554
-3.708862
other
B6Rh1O6
13
12
362.95
mp-1190055
-6.755012
-4.637466
5.094707
other
Gd4Al2Ge12
18
12
375.67
mp-605786
8.095219
8.931219
0.728237
other
Eu4Br2O4
10
12
208.01
mp-758522
9.515824
13.816296
-0.780904
other
Mn13Fe11O32
56
12
627.23
mp-1210700
-4.48414
-2.709052
-3.659212
other
Mn2Sb4Se8
14
12
382.1
mp-1209363
-5.644832
-3.711397
-1.108845
other
Rb4U2Te6
12
12
494.68
mp-1220532
-7.703053
1.042151
5.034412
other
Nd2Fe17C1
20
12
270.09
mp-1201126
-2.691383
-2.809479
-5.534183
other
Sm4Lu11S22
37
12
833.11
mp-1211133
8.006369
11.095325
-0.975943
other
Li1Pd5O6
12
12
142.56
mp-997183
9.078155
14.684649
-0.89811
other
Mn1Au1O2
4
12
50.34
mp-676437
-3.047296
-0.450922
-4.997776
other
Co2P2S6
10
12
189.79
mp-1225413
-7.760568
1.077053
5.013258
other
Dy2Fe17C1
20
12
261.03
mp-1385679
12.828569
11.150013
-0.922712
other
Zn2Mo3O8
13
12
165.8