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-1022923
-7.769989
-9.583738
6.728024
other
Y1Mg6Zr1
8
65
189.85
mp-753495
9.746033
10.029451
-1.715446
other
Sb3O7F1
11
65
136.84
mp-850398
12.410384
-1.023069
0.960412
other
Mn6O4F8
18
65
221.22
mp-772213
7.27915
9.39137
1.017134
other
La4Cu1O8
13
65
182.22
mp-1176493
10.405538
11.442932
-1.987062
other
Mg1Re1O4
6
65
68.1
mp-752939
13.19373
0.372951
0.861474
other
Fe2O2F2
6
65
70.15
mp-752736
10.573956
9.815352
1.438815
other
Ca12Mn4O16
32
65
429.85
mp-1068167
-5.914502
-6.551929
3.537378
other
Sr2Ge2Pb1
5
65
145.31
mp-760403
9.77146
8.767788
0.56691
other
Ca1Cd3O4
8
65
106.38
mp-1095488
-4.368095
1.335696
3.147263
other
U2B8Os2
12
65
123.55
mp-1223255
-3.559336
1.7794
2.991203
other
La1Sm3B24
28
65
280.93
mp-33857
10.134348
12.41492
-0.89774
other
Cr4Sb4O16
24
65
258.6
mp-997032
8.65864
11.059918
-0.134262
other
Mg2Au2O4
8
65
100.33
mp-675025
9.180716
11.293472
-1.207894
other
Sb1Rh1O4
6
65
70.11
mp-1173107
12.326021
12.302822
-0.15034
other
Ta2V2O8
12
65
138.39
mp-1191751
-8.244164
-6.37951
5.898355
other
Dy11In9Ni4
24
65
560.86
mp-1278428
13.178091
11.683958
-0.054688
other
Li2V6O8
16
65
159.49
mp-1191040
-8.775871
-0.82271
2.562396
other
Tb4Ni13C4
21
65
274.14
mp-1225039
-2.221119
0.458954
2.433389
other
Dy1Y1C4
6
65
83.85
mp-1190840
-6.581843
-4.876803
5.29977
other
Li8Pr7Ge10
25
65
526.16
mp-4071
-4.468626
1.723616
3.030725
other
Er2Ni3B6
11
65
112.73
mp-1216282
12.560217
10.773218
-0.884564
other
W2C3O3
8
65
111.82
mp-7892
-5.828218
0.234428
3.285623
other
Mn2Al1B2
5
65
44.53
mp-1068164
-8.23604
-5.191433
5.666115
other
Tb2In1Ni2
5
65
101.53
mp-1213639
-4.549198
-4.720392
-1.079821
other
Dy1Tl3Te6
10
65
9,627.33
mp-753747
11.037414
11.980006
2.698929
other
Ta3O7F1
11
65
133.09
mp-1213733
11.997059
11.622951
-1.966623
other
Cr1Mo1O4
6
65
62.56
mp-759224
9.946212
0.453364
0.239897
other
Li5Cu1F8
14
65
132.12
mp-762863
11.764586
1.393316
2.673834
other
Fe6O2F10
18
65
222.68
mp-863728
-8.725089
-0.750798
2.532274
other
Ho4Ni13C4
21
65
263.28
mp-1176621
10.805747
-0.077135
0.267429
other
Li1Mn1F4
6
65
62.99
mp-1219826
-9.734061
-4.644373
3.918441
other
Pr2Mn2Cu20
24
65
334.82
mp-8467
-7.531316
-3.49281
4.84078
original
Y2Ni2Ge6
10
65
178.75
mp-1191859
-8.158117
-6.532384
5.982194
other
Sm11In9Ni4
24
65
595.53
mp-1220652
-8.80094
-0.181494
4.724773
other
Pr4Al1Co25
30
65
418.28
mp-980004
-8.12392
-3.694944
5.645487
other
Sm2Ga4Co2
8
65
147.12
mp-28250
-0.534928
1.223887
-4.552926
other
Li2Mn1Br4
7
65
165.26
mp-867744
12.717993
9.914167
1.837199
other
Li1Ti3O4
8
65
75.09
mp-1206545
2.606696
-0.608026
-1.429193
other
Pr1Co5H4
10
65
97.64
mp-1102968
-4.441463
1.748138
3.041406
other
Tm2Ni3B6
11
65
114.27
mp-1224575
-2.102814
0.44471
2.357646
other
Gd1Dy1C4
6
65
85.89
mp-552089
7.38095
9.708717
1.029435
other
Sr2Cu3O5
10
65
131.86
mp-1102201
-4.336102
1.368796
3.169077
other
Pu2B8Os2
12
65
124.18
mp-752699
9.046314
0.747868
-0.231553
other
Li2Ag2F6
10
65
131.55
mp-1079715
-7.479809
-3.505322
4.785189
other
Lu2Ni2Ge6
10
65
177.87
mp-8925
-5.979289
-3.435449
-2.586111
other
Tl1Ag3Te2
6
65
149.23
mp-1095090
6.355389
13.094006
0.416389
other
Ba1Mn2O5
8
65
97.72
mp-1212318
-3.801652
-2.662479
-3.32274
other
Na1Yb3Se6
10
65
6,056.07
mp-934093
-8.541843
-0.600943
4.751931
other
Sm2In3Co9
14
65
219.38
mp-772508
11.108659
12.608383
-0.209895
other
Li1Fe3O4
8
65
78.29
mp-569398
-5.803995
-3.829731
4.195148
other
La8Al10Br4
22
65
613.22
mp-1102822
-4.326037
1.435953
3.138918
other
Th2B8W2
12
65
136.53
mp-1208362
-7.460856
-5.135462
3.090878
other
Tb2Ni2Sn8
12
65
284.56
mp-1200597
-8.223209
-4.979877
4.558027
other
Pr8In16Ni14
38
65
772.2
mp-1222949
-9.260573
-1.114159
3.236271
other
La1Co1Ni4
6
65
85.79
mp-756849
10.1866
0.491217
0.134399
other
Li1Fe1F4
6
65
63.76
mp-1207951
-2.581813
0.373999
2.483239
other
Tm5Re2C7
14
65
190.54
mp-755398
8.116617
13.523955
-1.133453
other
Li1Co3O4
8
65
76.27
mp-1227112
-4.439641
-3.409465
-4.031734
other
Ca1Pb3Se4
8
65
230.51
mp-1207357
-3.233638
-1.577578
-4.111269
other
Ho3Tl1S6
10
65
3,868.73
mp-1212055
6.95111
7.613505
-2.578401
other
Li1Mo3O6
10
65
1,754.47
mp-21139
-4.784234
-0.763913
-5.584526
other
Mn2Sn1S4
7
65
140.88
mp-3805
-6.490622
0.766809
3.59561
other
Al1Fe2B2
5
65
45.19
mp-546142
11.262071
8.808599
1.202358
other
Na2U1O4
7
65
118.31
mp-22980
1.554037
2.378052
-5.335395
other
Li2Co1Cl4
7
65
127.72
mp-1191293
-8.18152
-6.331442
5.892455
other
Tb11In9Ni4
24
65
572.29
mp-866397
-8.678802
-0.780684
2.490853
other
Gd4Ni13C4
21
65
269.6
mp-1213463
6.661861
7.313234
-2.31776
other
K1Y3O6
10
65
3,750.47
mp-753459
10.995843
12.002462
2.567089
other
Nb3O7F1
11
65
139.31
mp-2224869
9.306931
10.558634
-2.292741
other
Cu1Te1O4
6
65
77.33
mp-1213541
6.953637
7.62679
-2.482788
other
Na1Mo3O6
10
65
2,485.85
mp-1245892
4.804899
2.34655
-3.164505
other
Pt1C1N2
4
65
66.27
mp-1226702
-9.37232
-4.739311
4.163927
other
Ce1Ga1Cu4
6
65
93.94
mp-1087478
-7.51828
-3.533963
4.85744
other
Dy2Ni2Ge6
10
65
177.51
mp-1079306
10.62668
10.362434
1.074424
other
Sr6Fe4O10
20
65
293.84
mp-1223708
12.970118
10.522356
-0.0619
other
K2Mo8O13
23
65
341.98
mp-1222833
-2.029999
0.470241
2.325357
other
La1Gd1C4
6
65
95.79
mp-973540
-3.577334
1.591733
2.93108
other
Lu2Al2B8
12
65
117.18
mp-1211341
7.215335
8.229063
-2.946717
other
Li3Fe1O6
10
65
1,582.6
mp-1079270
-7.267834
-5.497928
3.366313
other
Tm2Ni1Sn6
9
65
212.06
mp-545348
12.043571
12.72137
-2.064472
other
Mg2V2O6
10
65
144.72
mp-545598
11.313898
9.074426
0.948294
other
U1Cd1O4
6
65
85.85
mp-8212
7.999467
10.816619
-0.624015
other
Cd1Pt3O6
10
65
118.24
mp-24813
-7.487438
0.397083
4.5668
other
La1Fe5H2
8
65
96.51
mp-1101964
-4.231732
1.567264
3.085725
other
Pu2B8Ru2
12
65
123.24
mp-1076993
-8.09724
-5.550508
5.753172
other
Gd2In1Ni2
5
65
103.79
mp-1104215
-9.2631
-1.129792
2.922603
other
Ca2Ni10H1
13
65
168.94
mp-765894
9.925503
1.697878
1.714792
other
Li5V1F8
14
65
148.4
mp-1215149
-3.956842
-2.415237
-3.353871
other
Ag3Bi1Se6
10
65
3,579.7
mp-18785
12.258245
11.486638
-1.285625
other
Cr1W1O4
6
65
63.47
mp-1079303
-7.464564
-3.737239
4.844656
other
Gd2Ni2Ge6
10
65
184.97
mp-1212104
7.204141
7.809498
-2.276497
other
Na3Ti1O6
10
65
2,310.76
mp-755059
10.785565
0.670812
-1.000789
other
Co8O4F12
24
65
271.59
mp-1226137
1.093145
2.463299
-3.191019
other
Cu2Hg1I4
7
65
2,844.81
mp-3988
7.484588
9.783651
0.330195
other
Ba1Cu3O4
8
65
120.86
mp-752910
6.203775
8.799603
-0.89146
other
Na3Bi1O4
8
65
108.4
mp-1227615
-8.640571
-0.257391
4.649615
other
Ce4Zr1Co25
30
65
409.55
mp-1219687
-8.981209
-1.720834
2.886383
other
Pr1Al1Ni4
6
65
86.7
mp-1222871
-9.097037
-1.807998
2.871061
other
La1Ni4Pt1
6
65
89.23
mp-580324
-8.075551
-4.92668
4.409896
other
Ce8In16Ni14
38
65
765.17