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-772486
10.478423
9.458397
1.207433
other
Lu12Sb12O42
66
152
890.65
mp-4122
13.101811
6.137477
-6.805642
other
Ga3P3O12
18
152
230.25
mp-704268
8.435175
14.180482
-1.33509
other
Mn36Ag48O96
180
152
2,242.46
mp-19086
8.420067
10.253818
1.378775
other
Ba3Co3O6
12
152
202.51
mp-568896
-0.311555
1.029667
-4.176878
other
La3Al9Br36
48
152
1,917.14
mp-776191
9.520237
1.102841
0.126626
other
Li3Fe3F12
18
152
286.1
mp-3288
6.445598
5.115107
-4.469842
other
Cs3N3O6
12
152
239.56
mp-752580
6.440802
5.060988
-4.441829
other
Rb3N3O6
12
152
206.1
mp-1214275
-0.414492
0.997956
-4.127648
other
Ce3Al9Br36
48
152
1,926.74
mp-1029718
4.542102
2.255638
-3.033537
other
Cs3C6N9
18
152
487.5
mp-780448
10.44804
9.436039
1.214468
other
Ho12Sb12O42
66
152
909.43
mp-1214199
8.628247
5.869098
-6.131921
other
Ca6S6O27
39
152
550.53
mp-11654
12.136905
6.019993
-5.922311
other
B3As3O12
18
152
185.56
mp-777749
10.377553
9.504869
1.211484
other
Y12Sb12O42
66
152
919.13
mp-531948
-6.014227
-3.403358
-2.239573
other
Ga36Sn6Te60
102
152
3,438.1
mp-1213494
6.151396
5.162084
-4.500945
other
Er3N21O45
69
152
1,057.39
mp-4236
9.190671
8.865307
1.880784
other
Ba3Zn3O6
12
152
204.24
mp-30029
-7.846054
-1.694033
2.576955
other
Ga9Ni39Ge18
66
152
815.63
mp-12403
8.77432
1.620078
-0.020996
other
Li3B3F12
18
152
210.32
mp-567874
-0.354622
1.007739
-4.14887
other
Pr3Al9Br36
48
152
1,814.86
mp-1182983
5.242353
2.919353
-3.501685
other
Ag3C6N9
18
152
231.6
mp-1247301
5.153562
2.312977
-3.425804
other
Co3C6N9
18
152
181.04
mp-28757
-0.359572
1.008321
-4.17169
other
Nd3Al9Br36
48
152
1,800.72
mp-1200997
-7.76581
-1.655719
2.538958
other
Zn3Ni39Ge24
66
152
816.8
mp-5331
13.644668
5.57951
-6.881783
other
Al3P3O12
18
152
231.75
mp-777990
10.474055
9.505141
1.258223
other
Tm12Sb12O42
66
152
893.86
mp-769138
10.405229
9.457399
1.195791
other
Dy12Sb12O42
66
152
911.68
mp-1182994
5.509215
3.179708
-3.47719
other
Ag3C6N9
18
152
286.08
mp-5189
11.791962
7.224123
-4.254206
other
Al3As3O12
18
152
246.69
mp-1245572
0.634853
2.608076
1.934263
other
Cr6Ag3N9
18
152
207.19
mp-11653
12.662332
5.748625
-6.079673
other
B3P3O12
18
152
170.82
mp-3996
11.526929
7.519721
-4.071487
other
Ga3As3O12
18
152
246.78
mp-647768
5.698518
3.384629
-4.677377
other
Co18C60O54
132
152
2,100.35
mp-1246590
2.502063
2.367431
1.455811
other
Ag3Ge6N9
18
152
211.42
mp-1245660
4.539065
2.348997
-3.212151
other
Au3C6N9
18
152
327.48
mp-555476
7.497961
10.613963
-1.067735
other
Na9Os3O15
27
152
350.56
mp-1245583
0.755848
2.330143
1.701037
other
Ag3Ru6N9
18
152
247.39
mp-1202909
1.901125
2.435824
-3.546699
other
Zn3I18N12
33
152
1,028.59
mp-625374
9.390383
1.946401
-4.233478
other
H18N6O3
27
152
229.77
mp-571464
-4.12144
-2.483714
-3.40464
other
Rb6P6Se18
30
152
936.9
mp-777821
11.109439
2.857636
1.341368
other
V6O3F15
24
152
322.52
mp-1211206
6.126013
5.14136
-4.469162
other
Lu3N21O45
69
152
1,004.34
mp-729895
12.077805
6.500051
-5.399689
other
Bi3P3O12
18
152
271.13
mp-571452
-4.039625
-2.425453
-3.400575
other
K6P6Se18
30
152
877.62
mp-36738
8.798672
13.331494
-1.156242
other
Fe12Co6O24
42
152
465.26
mp-734183
1.541704
2.733109
-5.160624
other
K9Tc6Cl24
39
152
1,146.59
mp-777887
10.10512
2.382379
2.074449
other
Li9V3F15
27
152
288.34
mp-4453
6.472487
5.103887
-4.503962
other
Tl3N3O6
12
152
213.34
mp-1245938
0.551183
2.367039
2.054368
other
V6Ag3N9
18
152
197.38
mp-756329
10.209553
7.855266
-6.855336
other
Mn3P3O12
18
152
270.32
mp-1215074
-8.063538
-4.7841
1.797144
other
Ag9Pd39Pb18
66
152
1,234.88
mp-772137
10.522737
9.431012
1.257097
other
Er12Sb12O42
66
152
901.66
mp-1209201
-0.376906
1.02504
-4.171717
other
Sm3Al9Br36
48
152
1,775.33
mp-756018
9.406779
8.73722
2.556911
other
Ba3Mg3O6
12
152
211.46
mp-541741
10.019664
11.281647
-0.625588
other
Mn12Sb12O42
66
152
817.51
mp-1217966
-5.361587
-2.69626
4.508447
other
Ta3Al3Si3
9
153
140.5
mp-1228900
-6.065163
-1.328549
4.109632
other
Al3Ge3Mo3
9
153
134.04
mp-1220385
-5.521858
-2.549718
4.239848
other
Nb3Si3Ge3
9
153
140.73
mp-1228015
-5.930944
-1.420972
4.375138
other
Al3Si3Mo3
9
153
127.39
mp-1217900
-5.43422
-2.383139
4.454831
other
Ta3Si3Ge3
9
153
139.93
mp-1216245
-5.93373
-1.686796
4.411202
other
V3Si3Ge3
9
153
124.2
mp-1217148
-4.086974
-0.007392
-4.353806
other
Ti3V1S6
10
148
177.73
mp-754586
8.892278
11.826604
-0.251386
other
Li8Bi1O6
15
148
148.94
mp-1103966
-6.913902
1.446854
-4.12498
other
Cd1Mo6Se8
15
148
318.38
mp-1103734
-6.971077
1.488983
-4.220797
other
Cr1Mo6Se8
15
148
305.97
mp-1079181
8.652535
1.96361
-0.409607
other
Li1Os1F6
8
148
98.67
mp-776320
11.526509
8.266507
-4.098378
other
Cu2As2O6
10
148
109.1
mp-30002
7.634798
6.618014
-3.152507
other
Sc2I6O18
26
148
390.35
mp-4417
11.594256
4.324016
-7.774421
other
Al4S6O24
34
148
396.75
mp-557158
9.790131
2.38606
1.524374
other
Cr1Mo1F6
8
148
101.32
mp-3627
-6.000663
1.551188
-4.722752
other
Eu1Mo6S8
15
148
282.82
mp-759217
9.954599
2.54068
2.106924
other
Li12V6F24
42
148
530.33
mp-1189771
-0.308431
0.470284
-3.030709
other
Tb7Mn1Br12
20
148
635.97
mp-1196024
-7.760764
-2.772115
4.985922
other
Pr1Ga40Mo8
49
148
887.99
mp-21338
-5.390939
0.976234
-4.38816
other
U1Mo6S8
15
148
272.88
mp-752434
9.787898
8.426402
3.069308
other
Gd6Y2O12
20
148
317.22
mp-8695
-4.016376
-2.237729
-3.479818
other
Mn2P2Se6
10
148
244.92
mp-13740
-3.46781
-1.192969
-5.406552
other
Ag6As6S12
24
148
552.33
mp-558838
8.697553
1.941912
-0.766225
other
Ni1Pt1F6
8
148
94.49
mp-22538
7.167107
11.052012
-1.075796
other
Li8Pb1O6
15
148
136.67
mp-769187
12.695392
6.224772
-7.116557
other
Sn5P6O25
36
148
549.87
mp-695771
-5.598771
-0.985621
-4.304034
other
Eu1Ni6S8
15
148
241.6
mp-777528
10.012992
1.923333
1.761771
other
Li6V2F12
20
148
223.2
mp-1443950
9.353424
0.746718
-0.554202
other
Mg1Co1F6
8
148
96.65
mp-626412
11.231101
4.051912
-4.1668
other
In4H12O12
28
148
252.13
mp-1042922
9.786098
9.289187
0.429203
other
La2Te1O6
9
148
136.39
mp-19082
11.502396
12.943818
1.03083
other
Ti2Mn2O6
10
148
107.83
mp-760690
10.217306
11.553946
0.020139
other
Li8Te1O6
15
148
144.79
mp-1216740
-4.680742
-1.474104
-5.861207
other
Tm2Cu6S6
14
148
238.58
mp-1391106
9.505772
1.971536
0.826639
other
Ca1V1F6
8
148
115.31
mp-1104677
-5.663607
1.320046
-4.672464
other
Cd1Mo6S8
15
148
282.45
mp-1176805
9.711354
12.819267
-0.294138
other
Li8V1O6
15
148
129.27
mp-1395540
9.09541
2.218329
1.387991
other
Ca1W1F6
8
148
137.71
mp-754011
7.318899
8.97041
-1.029884
other
Li2Bi6O12
20
148
303.13
mp-541138
9.439808
2.078948
1.627382
other
Nb1Fe1F6
8
148
125.25
mp-13191
10.688047
9.295588
3.133399
other
Sc6Re1O12
19
148
221.19
mp-7922
8.530478
1.516624
-0.533703
other
Ca1Pd1F6
8
148
111.97
mp-9144
8.559555
1.882831
-0.707979
other
Li1As1F6
8
148
89.41
mp-1225395
-6.1482
-3.091026
-2.206784
other
Dy2Cu6Te6
14
148
337.14
mp-1180675
4.791786
-0.366443
-2.753931
other
Li6B2H12
20
148
138.91