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-1272606
11.455672
12.303843
0.326646
other
Li8Cr4O8
20
12
213.81
mp-680039
-2.697451
-2.810368
-5.37252
other
Ce4Lu11S22
37
12
840.02
mp-1273581
5.472773
11.071976
-2.1758
other
Li3Fe3O8
14
12
143.72
mp-1189100
7.613995
8.03415
-3.251829
other
Zn5C2O12
19
12
231.97
mp-8499
-3.146318
0.584204
2.637809
other
Ho2Cr2C3
7
12
92.53
mp-1274857
10.721081
5.054611
-3.902214
other
Ni2H4O4
10
12
114.87
mp-1301334
10.56111
0.71193
-1.067837
other
Co4O2F6
12
12
136.07
mp-1218371
-3.339662
-2.170253
-5.406798
other
Sr4Se1S3
8
12
227.69
mp-1078719
9.89383
12.049011
-4.122527
other
V2Co1O6
9
12
180.82
mp-675651
-2.547112
-0.473245
-5.457709
other
Mg2P2S6
10
12
218.34
mp-1045684
7.379509
11.077562
-0.855539
other
Ca2Cu9O13
24
12
247.12
mp-754091
8.182837
13.809525
-0.933787
other
Li8Cr4O12
24
12
199.2
mp-1210569
2.267269
2.538678
-4.588442
other
Mn1H2Cl2
5
12
80.91
mp-1173939
6.646065
18.500874
-0.568498
other
Li8Mn4O12
24
12
209.33
mp-1445156
2.132849
2.213687
1.456665
other
Zn4Sn2N4
10
12
154.15
mp-29096
-0.862319
1.142495
-4.827284
other
Hg12S8Br8
28
12
813.28
mp-33746
8.649714
3.552109
-7.080671
other
Sr2C2O6
10
12
140.85
mp-1211669
5.446248
4.652727
-4.140473
other
Li1N6O6
13
12
572.67
mp-1226674
-6.248052
-3.878505
1.007978
other
Ce2Sb2Rh2
6
12
134.06
mp-1232305
-4.470782
-3.959353
-3.900063
other
Y2Mg2Se6
10
12
287.57
mp-5051
-3.381782
0.47613
2.711721
other
Ho2Mo2C3
7
12
102.17
mp-1302890
8.553578
14.757615
-0.947191
other
Sr2Mn14O24
40
12
427.02
mp-1245476
1.532251
1.814898
1.270977
other
Sr10Ir1N8
19
12
447.37
mp-754374
8.595465
15.144253
-1.65498
other
Mn6O10F2
18
12
186.99
mp-1417806
-3.424153
0.936341
2.639601
other
Cu2B2C1
5
12
65.51
mp-19788
-7.656945
-3.377837
5.468914
other
Tb4Ge4Ru2
10
12
207.11
mp-571542
-7.543061
-3.872339
5.346874
other
Ce2Al2Co2
6
12
109.49
mp-1173016
-4.097689
-0.063072
-3.724929
other
Nb15Ir1S32
48
12
1,008.47
mp-1197143
1.457904
2.630601
-5.813561
other
Cs11Tl6Cl29
46
12
1,628.43
mp-19047
11.469217
11.144197
-3.653018
other
Mg4Mo4O16
24
12
320.01
mp-755813
11.065588
8.712028
3.153289
other
Sc6N2O5
13
12
151.65
mp-12016
-3.354033
-1.495383
-5.537416
other
Rb4Si2S6
12
12
360.35
mp-1272979
8.678272
14.830639
-0.988709
other
Mn14Pb2O24
40
12
431.3
mp-676013
-3.347768
-2.087559
-5.031304
other
Yb16Fe8S32
56
12
1,298.39
mp-1219340
5.583057
10.522892
-2.125415
other
Sc1Fe3O8
12
12
151.62
mp-754962
7.415156
13.746805
-1.696738
other
Mn2Fe1O6
9
12
106.16
mp-22199
-3.933531
-1.392513
-5.729739
other
K1In5S8
14
12
335.43
mp-1224986
-4.782403
-1.756232
1.060233
other
Fe2Ni2P12
16
12
230.2
mp-685999
-1.567625
0.616091
-5.304392
other
Ag4S1I1
6
12
156.25
mp-1178372
8.098804
11.897088
-0.851758
other
Cu1Ni1O2
4
12
39.36
mp-1045653
7.474415
11.074065
-0.884358
other
Mg2Cu9O13
24
12
232.93
mp-760782
10.044515
0.807175
1.464038
other
Li15Cu3F18
36
12
332.51
mp-1194031
-6.112626
-4.588697
1.17368
other
Pr8Mn2Sb18
28
12
807.23
mp-1025173
-5.305538
1.023198
-4.294415
other
Ti1Mo2S4
7
12
116.88
mp-1245877
-3.661465
-1.666601
-5.531538
other
In4S3N2
9
12
179.96
mp-658046
-0.685346
0.843841
-1.570204
other
La24Al12I21
57
12
1,937.08
mp-31095
-5.189708
-3.157868
6.051585
other
Er4Fe2Si4
10
12
181.74
mp-1175380
4.53931
19.134676
-1.790716
other
Li9Co7O16
32
12
279.27
mp-1217526
-8.33889
-4.846388
3.576541
other
Tb2Ge2Pd2
6
12
120.33
mp-676020
8.566922
3.655957
-7.013097
other
Ba2C2O6
10
12
167.44
mp-1208078
8.878786
4.376556
-3.347794
other
V1B6O6
13
12
371.91
mp-1396333
12.791742
9.925805
1.633714
other
Mg4Ti4O8
16
12
179.18
mp-2210659
12.560508
10.005954
1.701891
other
Mg1Ti1O2
4
12
55.36
mp-31093
-5.194306
-4.01062
6.103932
other
Dy4Co2Si4
10
12
187.09
mp-776570
6.176429
13.111094
-2.812387
other
Co8O12F4
24
12
226.79
mp-5427
13.382119
5.959346
-6.449997
other
Mg2P2O7
11
12
116.56
mp-8613
-2.705512
-0.305063
-5.34064
other
Mn2P2S6
10
12
216.05
mp-567474
1.520942
2.309961
-5.30755
other
Li2Cr1Cl4
7
12
143.71
mp-1389459
11.271774
9.308709
0.42982
other
Mg2Sn4O8
14
12
204.51
mp-28118
-1.219969
2.33461
-3.073731
other
Al2Sb2I12
16
12
740.68
mp-571216
-5.68762
-6.120651
3.867454
other
Sr3Al2Ge4
9
12
221
mp-531674
13.043412
8.690483
-0.120974
other
Al28Fe14O56
98
12
982.15
mp-2215940
12.504653
11.533619
1.936962
other
Mg1Ti4O8
13
12
148.2
mp-1215655
-4.662331
-1.618698
-5.592028
other
Yb1Cu5S4
10
12
158.72
mp-23066
-0.981905
2.412115
-3.125659
other
Pb5S2I6
13
12
505.2
mp-1246243
1.307899
1.98493
1.474026
other
Ca8Mn3N8
19
12
306.17
mp-1173534
10.566236
11.732552
3.295799
other
Nd4Nb12O36
52
12
755.23
mp-867994
8.354206
14.805943
-1.031564
other
Li12Mn18O40
70
12
719.61
mp-754944
10.42458
12.776432
1.171591
other
Ta2Fe2O8
12
12
153.85
mp-775020
12.038803
-0.744703
1.087197
other
Mn4O2F6
12
12
150.22
mp-1190485
6.463595
6.050571
-4.03048
other
Ca2S2O12
16
12
728.98
mp-1212773
6.417784
4.263978
-4.515877
other
Fe1C6O6
13
12
317.39
mp-1247317
4.607419
2.248358
-3.206555
other
V1C8N6
15
12
278.78
mp-1247185
0.246193
2.479442
2.035789
other
Mn10Cu1N8
19
12
189.09
mp-1216614
-7.698201
-4.56175
2.905544
other
Y9Ni24Sn49
82
12
1,710.13
mp-1395042
12.860978
10.997623
-0.371484
other
Ca2Mo3O8
13
12
160.14
mp-1003485
9.274047
14.469797
-0.150374
other
Mg2Mn3O6
11
12
124.05
mp-27970
4.872931
3.105695
-3.415899
other
K2Cd1N12
15
12
254.53
mp-557105
10.942257
11.985925
-3.224457
other
K4V2O7
13
12
226.19
mp-1213615
-8.110605
-5.019173
3.932926
other
Dy4In20Ni11
35
12
646.34
mp-1103729
-4.692722
-4.733211
0.137615
other
Na1Ge6As6
13
12
322.31
mp-1042543
7.085779
13.356231
-1.498936
other
Ca2Co4O8
14
12
161.69
mp-756594
6.113456
12.858079
-1.724393
other
Co1Ni4O8
13
12
136.29
mp-756795
7.807208
8.442044
-0.277828
other
Rb6Pb2O6
14
12
353.66
mp-568974
-8.238266
-5.50433
3.208473
other
Ca1Cu2Sn2
5
12
105.81
mp-558244
8.191064
2.265459
-1.052012
other
As2I4F12
18
12
354.6
mp-757087
9.751312
14.08381
-0.541978
other
Li7Cr5O12
24
12
216.03
mp-1104355
9.331544
1.266526
-0.591163
other
Fe3O2F8
13
12
188.61
mp-1095218
-5.769121
-3.790363
-1.309196
other
Ba2Th2Te8
12
12
436.3
mp-1045937
7.744799
13.349419
-1.345843
other
Mg2Co9O13
24
12
238.54
mp-1247172
-4.545643
-2.808326
-3.957582
other
Bi4Se3N2
9
12
227.99
mp-1226505
-5.685007
-0.247547
-5.403978
other
Cr11Ni1S16
28
12
467.07
mp-27751
10.357361
12.765805
-3.787989
other
Li2V6O15
23
12
282.08
mp-17017
-7.28971
-2.634187
5.742648
other
Al36Co12Cu3
51
12
698.7
mp-1193043
-1.369237
0.46427
0.335975
other
Ce10C12Br6
28
12
572.71
mp-1175571
4.637674
18.816425
-1.798883
other
Li9Co7O16
32
12
274.92
mp-1225625
-8.368127
-6.426463
4.901312
other
Dy2Ga2Ag2
6
12
124.88
mp-1408987
0.97051
2.486927
1.864309
other
Mg4Fe2N4
10
12
119.74
mp-632485
-5.872639
-3.765124
-2.037757
other
Bi2Te2S1
5
12
180.69
mp-1042244
10.674385
9.462919
-0.044224
other
Mg2Sb4O8
14
12
214.2