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-771155
5.84238
16.179274
-1.670217
other
Li7Co5O12
24
12
189.72
mp-1193731
-3.066025
-2.505815
-4.123593
other
U8V1S17
26
12
579.84
mp-766035
9.368175
8.348741
-0.472638
other
Bi12Cl5O16
33
12
612.32
mp-1174196
5.864113
16.208347
-1.673182
other
Li7Co5O12
24
12
189.1
mp-1101372
10.798925
11.560781
3.342144
other
Tb2Ta6O18
26
12
368.4
mp-1217390
-7.71778
0.932609
4.992488
other
Th2Fe17C1
20
12
268.73
mp-5449
10.626648
12.373284
2.219562
other
Na2Ti6O13
21
12
256.77
mp-1213998
7.137803
9.08454
-0.697263
other
Ca4Tl3O9
16
12
232.22
mp-1045890
7.760156
13.157117
-1.364119
other
Zn2Co9O13
24
12
240.75
mp-1232299
-3.997342
-1.250163
-5.801082
other
Mg2In2S6
10
12
226.59
mp-1188128
-5.266172
-3.00984
-4.237939
other
Cs3Cu8Se6
17
12
391.44
mp-1182375
8.416984
14.520896
-1.080644
other
Ba1Mn4O8
13
12
151.52
mp-1193009
11.107192
6.266758
-2.811922
other
Ti6H8O16
30
12
420.86
mp-581855
-5.222483
-6.055243
0.815414
other
Sr42Mn8Sb36
86
12
2,904.01
mp-1217846
-4.029473
-0.04603
-3.764728
other
Ta20Pd9S50
79
12
1,537.71
mp-997017
6.262782
5.739252
-4.003502
other
Ag2Cl2O4
8
12
162.11
mp-989638
0.854756
2.276025
1.804756
other
Ca2Tc2N6
10
12
137.57
mp-1206019
-0.985421
1.125193
-1.673472
other
Ce4Si1I5
10
12
382.23
mp-1174378
6.992861
19.707167
-0.170192
other
Li8Mn6O14
28
12
261.38
mp-616544
-5.433544
-0.170158
-5.693839
other
Rb2Cr6S10
18
12
354.94
mp-1237804
8.1963
2.489206
-1.147397
other
Si1N2F6
9
12
140.1
mp-1179151
8.438929
1.825047
2.363184
other
Tb2O2F2
6
12
107.56
mp-1210574
11.137083
10.157966
2.131969
other
Lu5Re2O12
19
12
233.5
mp-1220175
-2.190796
0.469249
2.4228
other
Nd1Dy1C4
6
12
89.54
mp-28736
-0.992778
1.048562
-1.591487
other
Pr4Ru1I5
10
12
383.9
mp-1246235
0.295497
2.562999
1.892701
other
Fe2Co9N8
19
12
180.46
mp-1191469
6.409061
5.656323
-4.340928
other
Cd5N2O16
23
12
392.41
mp-5749
-5.628216
-1.611677
-3.694436
other
Cr2Fe1Se4
7
12
133.78
mp-1178834
6.971179
6.672371
-3.7491
other
V2Cl6O8
16
12
294.79
mp-2225378
-3.970002
-0.351959
-4.660609
other
Mg1Ti2S4
7
12
194
mp-754991
11.846601
8.592459
0.008598
other
Ga12N4O12
28
12
297.98
mp-1203178
-8.140074
-3.291198
4.350665
other
Tb4Ga21Ni10
35
12
544.98
mp-1212273
2.08889
2.885923
-4.326068
other
Os1S6Cl24
31
12
2,100.89
mp-1239022
8.687372
11.745947
-0.037887
other
Li2Cu1O2
5
12
48.08
mp-1392420
8.655815
14.460087
-0.33858
other
Ca2Mn4O8
14
12
177.3
mp-1091386
-7.612691
-3.359504
5.304296
other
Lu4Co2Ge4
10
12
183.16
mp-9157
10.411277
8.226492
0.443691
other
K6Al2O6
14
12
241
mp-1222817
-2.116002
0.488084
2.402597
other
La1Nd1C4
6
12
98.74
mp-1206971
-5.278022
-3.071313
5.966606
other
Tm4Fe2Si4
10
12
179.38
mp-22303
-3.911316
-1.628068
-5.426251
other
Rb6In2S6
14
12
478.57
mp-1274433
13.178546
11.698985
-0.063922
other
Li2V6O8
16
12
156.96
mp-505147
8.691903
9.085912
-0.156328
other
Cs12Fe4O10
26
12
705.28
mp-1224112
-7.051497
-4.373715
5.644276
other
Ho8Al3Ge9
20
12
424.73
mp-1232151
-4.540608
-3.937671
-3.91746
other
Tm2Mg2Se6
10
12
284.98
mp-1216721
-5.551569
-4.011981
-1.178244
other
Tm5Te4Se1
10
12
268.26
mp-31030
8.507153
1.150607
2.003233
other
K4Ho8F28
40
12
546.17
mp-1080595
-5.174729
-4.188523
6.134955
other
Gd4Co2Si4
10
12
191.19
mp-1246229
1.43663
1.793578
1.281267
other
Ca9Fe2N8
19
12
331.29
mp-542150
12.982729
10.521872
-0.025176
other
Fe4Mo8O14
26
12
352.74
mp-22145
-7.710917
-3.135725
5.378427
other
Sm3Ge4Ru2
9
12
185.86
mp-1042970
8.22513
13.172956
-0.663812
other
Ca2Fe4O8
14
12
168.01
mp-1212748
11.665026
8.179873
-3.456245
other
Fe3As2O8
13
12
328.26
mp-662714
-6.544372
-3.927236
0.845796
other
Gd3As6Pd9
18
12
303.38
mp-1102902
-6.201708
0.836582
2.649255
other
Pr2Ni5B4
11
12
136.98
mp-699375
10.665156
9.034455
-3.263647
other
Co8As3O16
27
12
300.21
mp-759499
10.899528
-0.128165
0.735219
other
Li1Mn2F6
9
12
112.05
mp-581770
-7.301035
-3.443124
5.925662
other
Sm4Al23Ni6
33
12
542.96
mp-1386995
6.385419
12.86569
-1.372829
other
Mg2Ni4O8
14
12
138.1
mp-1078113
-5.518621
-1.493059
-3.111824
other
V1Fe2Se4
7
12
124.51
mp-1274516
5.94493
11.015436
0.270137
other
Sr4Co2O8
14
12
189.21
mp-699151
3.396338
-0.673069
-2.507975
other
Sr6Mg7H26
39
12
466.54
mp-1207886
9.486032
11.696097
-4.24474
other
V4N1O10
15
12
220.63
mp-1105912
-6.799877
-4.494503
5.080316
other
Ce4Al2Ge12
18
12
380.91
mp-3513
-4.998595
-4.262039
6.435793
other
Dy2Al3Si2
7
12
132.03
mp-1213202
11.258562
10.054511
2.004189
other
Er5Re2O12
19
12
242.11
mp-553956
12.099108
6.661789
-4.67294
other
P2Pb3O8
13
12
184.85
mp-757926
8.253169
13.466905
-1.092845
other
Li3Co11O14
28
12
260.63
mp-30547
7.8778
10.377681
-3.751724
other
Rb2Cr6O16
24
12
372.2
mp-758515
6.326626
12.858473
-1.432773
other
Li2Fe3O6
11
12
104.81
mp-757932
8.183256
14.508041
-1.259029
other
Li4Mn7O16
27
12
283.87
mp-1205483
4.898049
1.974681
-2.531801
other
Tm2C3N6
11
12
133.59
mp-1199854
-2.630602
-2.773131
-5.454031
other
La4Er11S22
37
12
884.76
mp-777964
6.672869
8.898341
-0.646862
other
Na4Bi2O6
12
12
173.91
mp-1101181
10.831973
9.616702
3.097388
other
Y11Ta5O28
44
12
583.83
mp-541989
4.870232
2.088268
-2.725029
other
Na2C1N2
5
12
63.74
mp-752556
6.963335
10.813891
-1.011954
other
K4Co4O8
16
12
258.51
mp-1198691
9.010629
10.171015
-3.355902
other
Rb1W8O32
41
12
676.87
mp-766574
5.934117
13.129145
-1.480065
other
Li7Ni10O20
37
12
337.2
mp-1199201
-2.646657
-2.746122
-5.481326
other
La4Ho11S22
37
12
892.49
mp-1025282
-6.056702
-2.130689
-1.464812
other
Ti1V2Te4
7
12
169.52
mp-627405
-6.929256
-5.234537
5.732448
other
La11Ni4Ge6
21
12
553.36
mp-773511
6.020394
13.211644
-2.446031
other
Co5Ni1O12
18
12
199.98
mp-1189137
0.016762
1.612039
-4.080779
other
Hg5Br11N1
17
12
628.86
mp-1100489
7.138725
19.66305
-0.118511
other
Li9Mn7O16
32
12
297.05
mp-753049
7.779001
12.339729
-0.992307
other
Na1Ni5O6
12
12
115.56
mp-12005
-5.039462
-4.28309
6.462262
other
Tm2Al3Si2
7
12
128.03
mp-752932
8.338259
14.530166
-1.353629
other
Rb1Mn4O8
13
12
141.86
mp-676040
-2.80266
-0.342734
-4.984534
other
Ni2P2S6
10
12
194.29
mp-1245509
1.12214
2.489101
1.854777
other
Mg6Mo2N8
16
12
200.44
mp-27716
8.817676
8.567544
0.04993
other
K2Tl2O2
6
12
140.62
mp-861568
12.255379
-0.623449
0.31143
other
Mn4O4F4
12
12
158.24
mp-1223278
-4.036716
-0.168887
-4.56915
other
Li1Ti2S4
7
12
125.54
mp-1096316
-3.006846
-8.207803
1.951338
other
La2Al1In1
4
12
1,136.57
mp-756505
9.169363
8.377559
0.358346
other
Cs6Sc2O6
14
12
350.99
mp-1360164
6.346151
10.065835
-2.076484
other
Al8Fe6O24
38
12
409.27
mp-1217541
-6.477506
-4.402766
0.947038
other
Tb2Sb2Pd2
6
12
140.78
mp-1079563
4.110245
4.125649
-3.646819
other
Ni2Cl4O4
10
12
179.52
mp-1175362
6.842572
19.852119
-0.216114
other
Li7Mn5O12
24
12
221.96
mp-777051
15.070108
12.64482
-0.863244
other
V6O8F4
18
12
200.33
mp-1104762
-7.820537
-3.333421
2.410744
other
Ce2Sb2Pt10
14
12
263.96