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-1216225
-6.154338
-3.096355
-2.21186
other
Y2Cu6Te6
14
148
336.13
mp-756715
9.653741
8.418462
2.573951
other
Gd6In2O12
20
148
301.75
mp-1178576
7.170229
13.251467
-1.877085
other
Al2Co2O6
10
148
88.02
mp-1104295
-6.937458
1.385068
-4.124782
other
Nd1Mo6Se8
15
148
316.6
mp-36662
-5.69677
1.160473
-4.583141
other
Ho1Mo6S8
15
148
271.34
mp-29699
13.004508
10.717498
2.324293
other
Ti2Nb6O12
20
148
266.38
mp-20854
8.572937
1.121011
-0.586797
other
Ni1Pb1F6
8
148
105.66
mp-1188549
-1.118429
1.287463
-1.658839
other
Ho7Pt1I12
20
148
743.45
mp-1216499
-5.001945
0.080227
-4.234288
other
V3Fe1S6
10
148
150.78
mp-1196543
-7.73715
-2.662138
4.957133
other
Ga40Mo8C1
49
148
865.82
mp-510250
13.263676
11.931246
-0.29898
other
Sr1V13O18
32
148
374.55
mp-775320
11.452623
13.753104
-1.35333
other
Li8V6O16
30
148
304.88
mp-11172
8.563813
1.77845
-0.589015
other
Li1Ir1F6
8
148
95.7
mp-1078960
8.247168
2.176387
-0.869457
other
As1N1F6
8
148
111.17
mp-758652
6.268464
13.348511
-2.037253
other
Zn2Co2O6
10
148
96.65
mp-1190279
-1.183595
1.289961
-1.636513
other
Tb7Rh1I12
20
148
772
mp-27422
8.290003
1.039438
-0.321505
other
Cs1Bi1F6
8
148
147.86
mp-1043118
11.995448
11.21787
-2.218302
other
Cu3Mo4O12
19
148
218.34
mp-754107
9.593881
8.639116
0.020554
other
Y2Bi6O12
20
148
343.96
mp-20096
9.313337
1.582484
0.919286
other
Mn1Sn1F6
8
148
114.06
mp-1104266
-6.928563
1.351081
-4.234846
other
Np1Mo6Se8
15
148
311.68
mp-1103848
-6.952824
1.377643
-4.125699
other
Y1Mo6Se8
15
148
312.19
mp-754164
7.218997
9.689103
-1.426663
other
Tl6W1O12
19
148
259.89
mp-757524
8.281218
4.322567
-6.967067
other
V4C8O24
36
148
468.78
mp-561319
9.045042
1.300723
-0.159318
other
Co1Sn1F6
8
148
107.11
mp-1181675
6.897394
10.631834
-1.730318
other
Cu16Cl8O24
48
148
618.45
mp-1106187
-1.059517
1.089351
-1.685483
other
Er7Fe1I12
20
148
734.97
mp-8290
8.687596
1.352083
0.751201
other
Ba1Sn1F6
8
148
117.16
mp-18795
10.473016
11.678653
-0.795011
other
Mn6Te2O12
20
148
241.8
mp-26610
9.477227
8.050189
-5.904262
other
Cr4P6O24
34
148
449.08
mp-753421
9.8173
9.292737
2.631594
other
Gd6W1O12
19
148
268.23
mp-1196927
1.022708
1.502668
-4.986188
other
Ba8Sm6Cl32
46
148
1,297.88
mp-1197144
-7.761128
-2.76397
4.982067
other
Y1Ga40Mo8
49
148
888.38
mp-1223685
-5.30989
-7.217002
1.829275
other
K9Na1Tl13
23
148
938.72
mp-20580
8.793369
1.606688
-0.73343
other
Ni1Rh1F6
8
148
92.95
mp-771897
5.908974
11.151944
-1.850237
other
Li6Fe1O6
13
148
125.02
mp-555941
13.804927
5.460423
-6.411394
other
Al6P6O24
36
148
816.68
mp-1079200
8.085869
2.312604
-0.982041
other
Sn2N2F6
10
148
151.88
mp-19883
9.24858
1.926247
1.003028
other
Fe1Sn1F6
8
148
121.28
mp-26074
9.126255
7.817856
-5.096487
other
Bi4P6O24
34
148
532.51
mp-1400616
9.352718
2.535039
1.401956
other
Zn1W1F6
8
148
105.96
mp-14628
9.92994
9.691147
0.051735
other
Zn2Sn2O6
10
148
119.4
mp-4855
8.95802
6.516262
-4.056679
other
Li12Se6O24
42
148
521.07
mp-758501
9.888396
0.618067
0.021598
other
Li2Ni2F6
10
148
101.62
mp-540655
10.684109
4.880955
-6.301474
other
Fe6S6O18
30
148
384.97
mp-1104347
-5.649638
1.125915
-4.607952
other
Lu1Mo6S8
15
148
271.66
mp-1402047
9.275643
0.82193
-0.358855
other
Mg1Fe1F6
8
148
108.01
mp-626729
11.335501
4.037605
-4.20521
other
Ga4H12O12
28
148
205.69
mp-998620
8.56983
1.566202
1.238805
other
Rb2Sn2F6
10
148
206.86
mp-1217848
-4.649235
-1.464897
-5.833426
other
Tb2Cu6S6
14
148
244.54
mp-3043
-5.955877
1.566367
-4.812944
other
Sr1Mo6S8
15
148
291.34
mp-556982
12.196683
6.964647
-1.468371
other
Cu6Si6O18
30
148
481.18
mp-1079088
8.404843
1.813028
-0.492379
original
Na1As1F6
8
148
105.89
mp-29012
-1.200551
3.01108
-3.018399
other
Tl6Ag3I9
18
148
672.8
mp-1407092
9.263388
2.336495
1.016296
other
Zn1Mo1F6
8
148
103.87
mp-1224980
-4.909711
-1.023735
-4.883577
other
Fe1Cu3S8
12
148
184.86
mp-768950
10.210311
4.617511
-7.051016
other
Sn4S6O24
34
148
500.54
mp-557668
8.700414
1.87414
-0.539846
other
Mn1Pt1F6
8
148
104.6
mp-1020058
6.219633
5.038801
-4.542087
other
Mg12N24O72
108
148
1,307.96
mp-27420
8.326035
1.179816
-0.443187
other
Na1Bi1F6
8
148
122.81
mp-9143
8.661925
2.042592
-0.885432
other
Li1P1F6
8
148
82.97
mp-28345
-1.225971
1.685285
-2.090085
other
Zr6C1I12
19
148
654.09
mp-542618
-5.897288
1.531919
-4.756357
other
Tl4Mo18S22
44
148
909.72
mp-772255
13.688684
7.054346
-5.899302
other
Cu6P6O18
30
148
516.11
mp-23546
-1.323752
2.182752
-2.240889
other
Na2U1I6
9
148
384.56
mp-1019545
3.72734
2.83966
0.845968
other
Be6P12N24
42
148
395.46
mp-772801
9.982244
8.44544
1.249813
other
Lu2Bi2O6
10
148
152.59
mp-755616
11.048332
11.821853
0.258759
other
Li8W1O6
15
148
136.7
mp-23548
6.267844
9.136593
-1.370812
other
Ag2Bi2O6
10
148
154.63
mp-1232210
-4.500767
-4.095055
-3.927965
other
Er6Mg6Se18
30
148
785.16
mp-1323553
9.273235
0.914895
-0.597151
other
Ca1Ni1F6
8
148
101.48
mp-649080
2.092225
2.706541
-4.496326
other
Ti12S6Cl72
90
148
2,676.44
mp-9657
11.841004
7.813799
-4.586606
other
Li2As2O6
10
148
94.39
mp-19065
10.054962
9.253156
2.949797
other
Ho6W1O12
19
148
283.34
mp-780572
13.845128
8.758796
-5.348016
other
P6W4O24
34
148
497.59
mp-1398330
9.3747
2.094038
1.260829
other
Mg1Mo1F6
8
148
104.69
mp-28138
6.418006
5.944445
-3.630448
other
Ni4Cl8O32
44
148
561.28
mp-1078834
8.869748
1.769533
-0.466244
other
Li1Ru1F6
8
148
96.3
mp-14591
-3.610969
-1.324011
-5.3697
other
Li6Sb6S12
24
148
524.85
mp-754329
9.987566
9.290238
-0.090485
other
Cd2Sn2O6
10
148
131.04
mp-676058
-5.030698
0.152183
-4.433805
other
V3Ni1S6
10
148
156.82
mp-1173080
12.032352
10.341775
2.490354
other
Sr6Nb7O21
34
148
463.98
mp-19005
10.14907
9.495324
2.9618
other
Y6W1O12
19
148
256.84
mp-11980
8.479919
1.455579
0.928646
other
Cs1Nb1F6
8
148
142.94
mp-9636
8.324512
1.5199
0.172555
other
Cs1Sb1F6
8
148
142.17
mp-690539
9.422621
1.188115
-0.630936
other
Cr1Ni1F6
8
148
90.15
mp-20402
10.419073
8.763393
3.034013
other
Lu6U1O12
19
148
247.47
mp-1398496
9.289208
0.739437
-0.518133
other
Ca1Co1F6
8
148
112.72
mp-19992
9.993304
8.628405
2.786116
other
La6U1O12
19
148
315.59
mp-1178579
7.401763
10.44802
-1.687778
other
Al2Cu2O6
10
148
93.92
mp-1232171
-4.491303
-3.86094
-3.899084
other
Mg2Sc2Se6
10
148
243.82
mp-28531
12.319428
11.045245
2.399292
other
Rb2Ta15O32
49
148
635.49
mp-20569
10.30981
12.51631
-0.225318
other
Mn2Sn2O6
10
148
120.56
mp-1196304
10.360959
9.233353
-2.156216
other
Ni2Te12O26
40
148
561.83
mp-1079483
8.400121
1.762943
-0.690109
other
Li1Au1F6
8
148
95.44
mp-754016
15.010307
12.291301
-0.893922
other
V6O6F6
18
148
206.03
mp-547792
9.781137
9.731714
-0.581024
other
K2Sb2O6
10
148
153.65
mp-8424
7.390934
11.012228
-0.714207
other
Li8Pr1O6
15
148
159.5
mp-1103493
-5.707113
1.165097
-4.646406
other
Tm1Mo6S8
15
148
272.77
mp-1104260
-6.953186
1.371885
-4.127271
other
Ho1Mo6Se8
15
148
311.52