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-583593
10.057854
7.41251
-5.975163
other
Yb8P24O72
104
148
1,696.57
mp-647822
4.713424
3.24718
-4.16502
other
Pd12S54N24
90
148
2,162.73
mp-510249
13.264782
11.896642
-0.278845
other
Ba1V13O18
32
148
376.98
mp-753766
10.133041
9.284193
3.076465
other
Ho6Re1O12
19
148
251.45
mp-9056
8.429299
1.783783
0.378318
other
Zr1Pd1F6
8
148
121.51
mp-752752
9.812241
0.821121
-0.452253
other
Li1Mn1F6
8
148
86.88
mp-998602
8.540105
10.951069
0.224808
other
Rb2Os2O6
10
148
160.15
mp-1387328
8.215614
1.230362
0.35287
other
Ca1Bi1F6
8
148
138.9
mp-752422
6.603615
5.929969
-3.444604
other
I6Cl6O6
18
148
494.72
mp-755797
12.866108
11.115579
1.926751
other
Li1Ti8O13
22
148
245.71
mp-755817
7.995783
12.741099
-0.512502
other
Li8Mn1O6
15
148
125.31
mp-771788
11.470639
13.712066
-1.465898
other
Li8V6O16
30
148
287.33
mp-1104216
-6.964141
1.446461
-4.08929
other
Pu1Mo6Se8
15
148
320.07
mp-1193234
7.458466
9.466717
-3.071795
other
Mn6Zn2O20
28
148
411.05
mp-1226983
-4.643955
-2.871732
-3.944016
other
In12Se19N2
33
148
1,017.24
mp-754229
8.191083
14.222088
-1.509727
other
Mn2Ag2O6
10
148
117.64
mp-9928
8.539454
1.455647
-0.336787
original
Ca1Rh1F6
8
148
114.52
mp-580799
-6.963478
1.383359
-4.204228
other
Rb8Mo42Se48
98
148
2,426.19
mp-1219189
-6.138783
-3.140292
-2.188365
other
Sm2Cu6Te6
14
148
347.83
mp-2928
-4.653091
-2.060586
-3.031899
other
Fe2P2Se6
10
148
208.96
mp-1106228
-1.162095
1.216741
-1.572356
other
Tb7Ni1I12
20
148
746.53
mp-1086677
6.452347
8.627256
-2.529199
other
Na2Sn1O6
9
148
137.34
mp-1226384
-4.656405
-1.463282
-5.833037
other
Gd2Cu6S6
14
148
247.38
mp-15637
8.63041
1.638024
-0.560222
other
Zn1Rh1F6
8
148
97.87
mp-1079752
-2.458511
-0.574722
-5.386242
other
Sn2P2S6
10
148
269.09
mp-1105808
-1.122085
1.283898
-1.688073
other
Er7Ir1I12
20
148
753.02
mp-1399447
8.902464
1.313075
1.021586
other
Mg1Ti1F6
8
148
104.74
mp-760421
-1.185343
1.688216
-2.187803
other
Zr6B1I12
19
148
653.48
mp-867998
10.578195
9.173313
0.213191
other
In15Sn1O24
40
148
529.73
mp-30058
10.017129
9.906219
-0.557448
other
Tl2Sb2O6
10
148
178.47
mp-1079366
8.264303
2.113954
-0.880161
other
Ta1N1F6
8
148
115.34
mp-1219527
-5.300663
-2.979302
-4.182659
other
Sc2Cu6Se6
14
148
257.07
mp-1392784
9.646225
2.062702
0.442555
other
V1Zn1F6
8
148
111.22
mp-754701
10.323388
11.103259
2.966531
other
Ca2Ti2O6
10
148
124.95
mp-1078458
10.160567
13.510795
-0.796413
other
Cr2Fe2O6
10
148
100.52
mp-1225850
-4.976186
-6.140584
0.532348
other
K60Ga18Sb38
116
148
4,663.53
mp-770419
10.54199
9.963871
3.996565
other
Sr2Zr7O16
25
148
319.38
mp-13545
8.53083
1.485945
0.009595
other
Ba1Ir1F6
8
148
117.31
mp-753164
9.324231
10.006313
1.260574
other
Yb2Ti2O6
10
148
121.15
mp-27221
10.656987
9.868958
3.811867
other
Ca2Hf7O16
25
148
301.11
mp-13641
10.751555
11.96172
2.199278
other
Ti2Cd2O6
10
148
119.04
mp-781505
9.847478
11.271871
0.861317
other
Ca6W2O12
20
148
279.65
mp-1220574
-4.611974
-1.205466
-2.584893
other
Nb18Tl2Se24
44
148
943.78
mp-5909
11.642575
7.402416
-0.969267
other
Zn12Ge6O24
42
148
560.38
mp-764846
10.12242
0.870249
1.520069
other
Li12Mn6F24
42
148
595.88
mp-626411
11.231387
4.051877
-4.167006
other
In4H12O12
28
148
252.16
mp-541450
11.452839
4.267446
-7.816616
other
In4S6O24
34
148
479.31
mp-1203338
-7.724453
-2.751985
4.931113
other
Ga40Sn1Mo8
49
148
883.17
mp-754266
-3.856197
-1.158328
-5.633892
other
Li8Ti1S6
15
148
238.69
mp-1101375
12.139404
9.80028
2.414524
other
Sc2Ti2O6
10
148
113.48
mp-554311
9.087792
0.955927
-0.336306
other
Rb1Cr1F6
8
148
117.58
mp-769364
9.603492
8.63884
0.042298
other
Dy2Bi6O12
20
148
342.84
mp-3759
11.943798
7.489958
-0.80851
other
Mg2Ge2O6
10
148
101.03
mp-1224142
-6.175941
-3.072413
-2.230627
other
Ho2Cu6Te6
14
148
335.03
mp-1397451
8.816299
1.314157
0.705213
other
Mg1Sn1F6
8
148
106.01
mp-760781
9.150014
0.713453
0.009313
other
Li12Ag6F24
42
148
623.07
mp-557619
-5.893013
-3.579934
-2.080503
other
Bi14Te13S8
35
148
1,167.66
mp-13192
10.520455
9.655778
0.166817
other
In6Re1O12
19
148
244.37
mp-768285
12.660814
6.101687
-1.280059
other
Be12Ge6O24
42
148
396.95
mp-1228029
1.811704
1.786319
1.316889
other
Ba6Ge2N7
15
148
333.3
mp-978640
-5.719432
1.200273
-4.636271
other
Sm1Mo6S8
15
148
275.94
mp-1103974
-5.69851
1.258687
-4.707751
other
La1Mo6S8
15
148
281.91
mp-1216588
8.533566
1.346756
0.283044
other
Tl1In1F6
8
148
120.67
mp-1199695
6.893881
6.360249
-4.157366
other
Fe6S6O60
72
148
1,239.73
mp-20511
-7.028018
1.54063
-4.140018
other
In1Mo6Se8
15
148
329.54
mp-1105355
8.598899
14.82275
-0.949958
other
Ca1Mn7O12
20
148
211.14
mp-754508
5.592106
10.576231
-1.867066
other
Mg2Fe2O6
10
148
104.73
mp-1078377
10.754741
12.229681
2.42653
other
Li2Nb2O6
10
148
117.21
mp-1020623
12.340527
7.243027
-1.145236
other
Zn2Si2O6
10
148
93.46
mp-8611
9.650048
11.343693
0.668377
other
Li8Ce1O6
15
148
143.47
mp-754246
11.481219
11.881798
1.81987
other
Ti2Sn2O6
10
148
156.8
mp-15639
8.416711
1.852531
-0.67582
other
Hg1Rh1F6
8
148
110.74
mp-15638
8.540836
1.685178
-0.564503
other
Cd1Rh1F6
8
148
108.4
mp-37216
8.372562
1.326892
-0.375745
other
Cd1Pb1F6
8
148
123.79
mp-998421
1.138529
2.107761
-5.63902
original
K2Ca2Cl6
10
148
310.68
mp-4622
9.298535
1.04584
1.148052
other
Li12Be6F24
42
148
446.19
mp-756382
10.107915
11.176488
0.915677
other
Sr6W2O12
20
148
321.85
mp-1180381
7.153811
4.445434
-5.331466
other
Mn3C12O18
33
148
563.92
mp-1176440
8.165544
14.048883
-1.419836
other
Mn2Cu2O6
10
148
100.48
mp-19424
10.11794
13.230926
0.194281
other
Ti2Co2O6
10
148
102.01
mp-1232257
-4.532106
-4.012027
-3.939789
other
Dy6Mg6Se18
30
148
799.44
mp-755463
-3.707868
-1.335502
-5.484271
other
Li6Sb2S6
14
148
286.61
mp-770662
6.699844
13.36267
-1.888191
other
Cd2Co2O6
10
148
111.68
mp-18634
9.961741
4.590159
-6.415514
other
Cd6S6O18
30
148
451.78
mp-761076
7.923449
10.109256
-3.805858
other
Na12Cr6O24
42
148
752.3
mp-1232251
-2.918121
-2.410617
-5.945594
other
Tm6Mg6S18
30
148
679.53
mp-1188900
-1.161126
1.273156
-1.644574
other
Tb7Ru1I12
20
148
773.66
mp-530749
10.253011
9.488826
-2.004707
other
U7Te24O70
101
148
1,527.79
mp-774520
12.831515
10.217989
1.158823
other
Ti2Al2O6
10
148
97.84
mp-560802
8.246276
2.286589
-1.089299
other
Te7O6F30
43
148
677.33
mp-626194
11.717936
4.364161
-3.586143
other
Sc4H12O12
28
148
240.9
mp-19436
10.741542
10.780322
-1.926816
other
La7Mo7O30
44
148
596.65
mp-868032
6.94133
6.489515
-3.884938
other
Pb13N4O26
43
148
789.98
mp-638650
-1.099607
1.160329
-1.639187
other
Pr7Fe1I12
20
148
832.5
mp-1400400
8.488638
1.841253
0.286362
other
Zn1Sb1F6
8
148
126.22
mp-755099
5.495289
10.847694
-1.896165
other
Zn2Fe2O6
10
148
105.61
mp-768451
8.39396
6.450317
-5.705257
other
Cu4S6O24
34
148
408.39
mp-623024
8.74103
1.491542
0.738054
other
Ti1Cd1F6
8
148
114.36
mp-1105605
-1.166949
1.16055
-1.602317
other
Tb7Fe1I12
20
148
765.7
mp-675769
-6.961929
1.358122
-4.077271
other
Ce1Mo6Se8
15
148
314.12