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-757060
8.282988
14.367184
-1.366019
other
Mn4Ni1O8
13
12
149.17
mp-1246813
0.253945
2.334591
2.185225
other
Cr8Fe3N8
19
12
179.55
mp-758517
6.450521
13.434851
-1.25938
other
Li11Ni13O24
48
12
411.65
mp-641743
-4.452277
-4.002062
-3.739056
other
Yb11Sm4Se22
37
12
1,061.87
mp-1226670
-5.345992
-4.177137
0.748461
other
Ce2As2Pd2
6
12
132.36
mp-1324086
9.893518
12.373506
-3.748595
other
Y8V12O42
62
12
771.9
mp-1003313
8.145684
16.214851
-0.585596
other
Li4Mn6O12
22
12
213.92
mp-1283389
8.605426
13.176821
-0.98737
other
Cd2Fe4O8
14
12
161.3
mp-1175471
4.311503
19.254864
-1.849079
other
Li9Co7O16
32
12
280.57
mp-1180084
10.650399
4.766266
-4.112751
other
Ni1H2O2
5
12
39.88
mp-1397126
10.517097
11.659304
2.628897
other
Ca2Ti3O8
13
12
160.77
mp-1192087
10.604508
9.268069
-0.691355
other
Sb8I2O12
22
12
424.95
mp-1104804
-5.261832
-5.957984
0.709346
other
Ba4Cd4Sb6
14
12
486.74
mp-1078247
-5.766472
-0.463978
-4.619149
other
Cr2Fe1S4
7
12
97.71
mp-1247534
0.708007
2.217089
1.796931
other
Ca1Ru2N2
5
12
63.45
mp-2227184
8.24719
13.199658
-1.026908
other
Mg1Fe2O4
7
12
88.43
mp-1101443
10.710962
11.495247
3.349217
other
Nd2Ta6O18
26
12
371.96
mp-1199263
-2.745523
-2.732038
-5.338552
other
Ce4Y11S22
37
12
886.18
mp-760838
8.061627
14.500098
-1.086504
other
Na11Mn13O32
56
12
660.16
mp-1077939
-6.309131
-2.390738
-0.954384
other
Cr1Te4Rh2
7
12
162.03
mp-621024
0.232492
0.748958
-3.071369
other
Gd6C3Cl5
14
12
309.52
mp-3342
-2.444541
-0.458517
-5.445429
other
Zn2P2S6
10
12
226.04
mp-1196569
11.918653
6.967839
-1.152746
other
Mg17Si20O60
97
12
1,166.6
mp-1398116
10.544578
9.807905
-0.21169
other
Zn2Sb3O8
13
12
180.21
mp-7494
-3.927491
-1.578361
-5.477107
other
K4Ag8S6
18
12
412.66
mp-554500
10.45032
10.031972
-1.368359
other
Bi4W2O12
18
12
248.81
mp-1080466
-4.109792
-0.016276
-4.021036
other
Nb2Pd1S6
9
12
184.74
mp-1247037
0.13103
2.671479
1.916021
other
Fe10Co1N8
19
12
184.06
mp-776552
12.048598
-0.6437
1.126912
other
Mn8O4F12
24
12
300.72
mp-1245872
4.689486
2.288626
-3.180769
other
Pd1C1N2
4
12
62.83
mp-1191575
7.55684
9.819069
-3.521563
other
K4Cr4O14
22
12
428.02
mp-1389441
7.195204
8.246243
-2.385095
other
Y1Cu3O6
10
12
184.53
mp-29954
-0.161374
0.501005
-3.147768
other
Tb16B4Br23
43
12
1,244.54
mp-1025322
-5.467508
-1.317537
-3.176893
other
V1Co2Se4
7
12
120.55
mp-1210197
8.432393
1.338137
-0.329636
other
Sr3Cr1F12
16
12
309.96
mp-1409107
11.318096
12.881296
-0.385913
other
Zn2Cr4O8
14
12
156.51
mp-1100893
-4.68876
-1.020385
-5.201904
other
Y6Mn11S20
37
12
729.75
mp-1328478
9.732646
12.345112
-3.967238
other
Y8V12O42
62
12
874.98
mp-756565
10.747375
12.601758
1.920959
other
Li2Ti7O15
24
12
257.53
mp-1225507
-7.794716
-3.469221
4.911383
other
Er2Ni2Ge2
6
12
106.79
mp-20283
12.802056
7.708407
-6.644957
other
Co4P4O14
22
12
245.13
mp-1245503
-3.77529
-1.548823
-3.945961
other
Zr4S3N2
9
12
155.89
mp-16225
-5.138761
-4.218451
6.115566
other
Y6Si6Rh2
14
12
283.37
mp-1042551
6.609535
12.502735
-1.188973
other
Ca2Ni4O8
14
12
155.24
mp-1048077
12.579963
9.9539
0.535084
other
Ca4W4O8
16
12
277.84
mp-1237949
-2.990757
-2.329837
-5.827064
other
Pr2Mg2S6
10
12
263.68
mp-1045659
7.386934
11.003003
-0.962918
other
Zn2Cu9O13
24
12
233.48
mp-1208895
9.603643
8.670665
2.748255
other
Sm4Hg2O8
14
12
223.79
mp-1101061
-3.349166
0.505027
2.700184
other
Ho2Mo2C3
7
12
101.39
mp-1290512
11.018049
13.318978
-0.105947
other
Mn6Cr6O16
28
12
301.66
mp-754052
-4.900041
-0.94015
-5.141598
other
Li3Fe4S6
13
12
223.74
mp-1409205
6.164279
12.544548
-1.470059
other
Mg2Ni4O8
14
12
149.79
mp-1221834
-6.587996
-2.56979
-1.481632
other
Mn1Cr3Te4
8
12
180.94
mp-1211521
8.294585
1.023968
1.883521
other
K4Tb8F28
40
12
562.15
mp-1225193
-7.657966
1.137843
4.872254
other
Gd2Fe17N2
21
12
260.89
mp-1181825
6.691021
6.370473
-4.029849
other
Cr2N4O8
14
12
248.28
mp-9810
-5.139568
-2.326657
-3.729259
other
Tl2Fe2Se4
8
12
214.95
mp-556365
9.469647
1.936068
1.964746
other
K2Cr2F6
10
12
143.85
mp-753028
8.285945
16.265257
-0.409563
other
Li3Mn4O8
15
12
150.66
mp-1204968
-2.691773
-2.823267
-5.309957
other
Ce4Tm11S22
37
12
867.13
mp-1101403
9.138276
8.50749
0.420284
other
Rb6Tm2O6
14
12
327.43
mp-686465
10.066213
10.657704
3.269707
other
Gd16Ti16O56
88
12
1,075.63
mp-1219296
-8.456683
-4.762968
4.545031
other
Sc2Ga2Cu2
6
12
98.76
mp-1390652
12.738152
10.780803
1.850579
other
Ca2Ti4O8
14
12
170.5
mp-627151
11.257418
11.000967
-3.818011
other
Zr1Mo2O8
11
12
167.06
mp-554940
7.807317
10.508606
-3.734674
other
Li2Cr6O16
24
12
277.81
mp-1185142
-8.123651
-3.329603
4.401768
other
Dy4Ga21Ni10
35
12
544.26
mp-571409
-0.342295
1.620588
-4.696901
other
Cs2Li3Br5
10
12
312.38
mp-686037
11.533584
8.719484
2.066343
other
U7Cd3O20
30
12
386.94
mp-761285
11.754395
11.952285
-1.021659
other
Sc2V2O7
11
12
146.41
mp-1221432
-5.369341
-1.891
-3.758548
other
Na2Cr3Se6
11
12
240.44
mp-571069
-5.18144
-5.992503
0.721659
other
Ba3Cd2Sb4
9
12
322.62
mp-1025182
-5.370431
-1.352227
-3.178648
other
V2Fe1Se4
7
12
122.86
mp-1045652
12.794318
9.988543
1.906364
other
Ti9Zn2O13
24
12
240.8
mp-1245515
-5.764172
-3.851927
-1.7562
other
Bi4Te3N2
9
12
258.73
mp-540644
-1.260956
2.562743
-3.101239
other
Sn8S2I12
22
12
840.54
mp-1025380
-6.515251
-2.593813
-1.440228
other
Cr2Fe1Te4
7
12
163.81
mp-1183002
-4.195309
-2.60225
-3.747194
other
Ag1Bi1Se2
4
12
183.42
mp-1048593
-3.902256
-0.441992
-4.663797
other
Ca1Ti2S4
7
12
142.77
mp-1078078
-4.483386
-2.691953
-4.005331
other
Co1Si2Se4
7
12
134.71
mp-755378
7.646792
10.881811
-0.69071
other
Na1Pd1O2
4
12
48.54
mp-1173894
3.856631
19.135019
-1.85023
other
Li4Co2O6
12
12
104.36
mp-12803
8.605431
1.272519
2.004896
other
Ba1Er2F8
11
12
150.18
mp-989513
0.760457
2.44921
1.891597
other
Sr2W2N6
10
12
152.79
mp-755195
5.205131
11.639362
-2.34255
other
Fe6O10F2
18
12
194.44
mp-755897
10.470569
0.674851
-0.675512
other
Co6O2F10
18
12
213.33
mp-34650
9.8351
14.145288
-0.086642
other
Li2Mn6O8
16
12
168.66
mp-1246941
9.474065
13.776421
-2.007774
other
V1Cr3O8
12
12
146.11
mp-4541
6.94298
10.437123
-0.487482
other
Na1Cu1O2
4
12
45.31
mp-19311
9.989696
12.34914
-3.949006
other
V2Co1O6
9
12
99.15
mp-1245980
5.10642
2.166377
-2.849777
other
Ga2C3N6
11
12
156.1
mp-759953
6.942287
12.801193
-1.204519
other
Na6Ni10O16
32
12
309.36
mp-2219080
12.558831
11.50211
1.904875
other
Mg1Ti4O8
13
12
147.64
mp-1302089
7.16677
12.63489
-1.166037
other
Na4Ni8O12
24
12
238.31
mp-17272
11.107959
12.174955
2.462666
other
Nb4Cu4O12
20
12
279.19
mp-1103896
11.174925
8.563385
2.473939
other
Gd6Bi2O6
14
12
275.48
mp-1193584
-4.070334
-3.644778
-2.693607
other
U8Fe1Se17
26
12
645.4
mp-752860
8.583546
15.168944
-1.593706
other
Mn6O10F2
18
12
187.29
mp-1215085
8.374989
1.212287
-0.235931
other
Ba3Mn1F12
16
12
383.04
mp-1100364
-3.418043
-1.553182
-5.700514
other
Ca3Sn6S15
24
12
605.63