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-552934
8.120246
8.933731
0.985569
other
Ba2Cu1Br1O2
6
166
161.29
mp-756727
8.584266
13.932
-0.765234
other
Li4Nb1Co3O8
16
166
152.3
mp-2224234
12.364811
11.476107
1.782122
other
Mg1Ti3Zn2O8
14
166
155.14
mp-754193
11.063832
13.530796
0.052075
other
Li6Ti2Cr6O16
30
166
300.8
mp-1192218
9.921382
9.794943
0.91503
other
Pr3Mn2Sb3O14
22
166
299.47
mp-1216982
-5.482013
-1.807193
-3.845451
other
Ti1Cr3Cu2Se8
14
166
285.28
mp-1219664
10.036504
10.358122
-3.203022
other
Rb4W2S2O8
16
166
400.08
mp-16928
9.696601
11.174725
1.342278
other
Ba6Lu2W3O18
29
166
439.03
mp-542819
6.58292
0.428039
-3.494884
other
Cs3B12H12Br1
28
166
392.14
mp-756498
5.984088
12.997027
-1.54619
other
Li3Fe1Ni3O8
15
166
141.53
mp-755855
6.462668
12.367068
-1.515969
other
Li4Fe6Bi2O16
28
166
332.33
mp-1246808
-5.403701
-0.473805
-5.49339
other
Mg2Cr3Fe1S8
14
166
259.23
mp-756601
7.293496
13.779367
-0.961795
other
Li4Ti1Ni3O8
16
166
144.15
mp-1223776
-4.893488
-2.579895
-4.026696
other
In4Ag2Se6Cl2
14
166
380.96
mp-757161
6.460405
13.439046
-1.378687
other
Li3Fe3Ni1O8
15
166
147.1
mp-1106382
7.580886
7.829195
-3.636311
other
K1Al3S2O14
20
166
264.31
mp-769631
8.23338
14.527226
-1.213238
other
Li2Mn3Ni1O8
14
166
142.96
mp-756918
8.736132
14.988625
-0.64071
other
Li2Mn3Sn1O8
14
166
158.94
mp-1235327
10.228137
8.974813
0.107954
other
Li1In4Hg2O8
15
166
215.39
mp-756558
10.003533
14.020522
-0.424676
other
Li4Cr3Cu1O8
16
166
146.49
mp-2232170
-5.32357
-0.796798
-4.559153
other
Mg1Zn2Fe4S8
15
166
234
mp-17085
8.61528
1.440663
1.430089
other
Rb4Zr6O2F24
36
166
542.25
mp-1220113
10.392036
9.367597
3.759851
other
Nd1Y3Zr4O14
22
166
292.6
mp-6716
8.755746
10.692684
1.408579
other
Ba4Zr1Ru3O12
20
166
292.34
mp-1228723
0.488966
1.484588
-0.604743
other
Ba10Br4N5Cl1
20
166
598.47
mp-1221909
-5.423438
-0.569604
-5.603745
other
Mn2Cr3Ga1S8
14
166
263.42
mp-775295
9.84283
14.075632
-0.827076
other
Li2Mn1Cr3O8
14
166
145.93
mp-1247158
-5.603566
-0.568128
-4.841912
other
Mg2Cr1Co3S8
14
166
242.61
mp-1216093
10.237157
9.715458
2.426886
other
Y4Ti1Sn3O14
22
166
283.89
mp-655105
9.022424
5.394878
-6.213671
other
K2Pb1S2O8
13
166
290.83
mp-754267
7.272701
13.068733
-1.077359
other
Li2Mn1Cu3O8
14
166
142.6
mp-24240
6.529679
0.414929
-3.513942
other
K3B12H12I1
28
166
350.36
mp-17888
8.63988
1.483176
1.41028
other
K4Zr6O2F24
36
166
517.97
mp-774415
9.432738
14.071392
-0.886084
other
Li2Cr3Fe1O8
14
166
147.36
mp-1246549
-3.863899
-0.699788
-5.083652
other
La1Mg2Ti3S8
14
166
300.68
mp-868007
6.211037
13.227818
-1.437216
other
Li3Cu1Ni3O8
15
166
138.41
mp-753150
8.055358
15.908073
-0.814487
other
Li3Mn3Co1O8
15
166
145.81
mp-757137
7.218933
13.857656
-1.052465
other
Li4Cr1Ni3O8
16
166
140.52
mp-753177
6.853625
14.213562
-1.793616
other
Li2Mn1Co3O8
14
166
138.84
mp-756312
6.141253
12.942788
-1.461376
other
Li4Mg1Ni3O8
16
166
138.13
mp-1247184
-4.508228
0.261881
-4.894969
other
Mg2Ti1Mo3S8
14
166
283.98
mp-1222096
-7.547214
-0.819605
3.211351
other
Mn2Ga1Co4Ge1
8
166
94
mp-755699
7.862724
13.544024
-0.887817
other
Li4Cr1Cu3O8
16
166
142.33
mp-561500
8.887465
1.33445
1.411472
other
Cs4Na2V2F12
20
166
367.08
mp-1223769
10.49716
11.648528
3.419294
other
K4Ta3Nb1O12
20
166
262.48
mp-756037
6.633156
13.964794
-2.109036
other
Li2Mn2Co6O16
26
166
279.34
mp-1246894
-4.120145
-0.534521
-5.107513
other
Mg2Ti3In1S8
14
166
287.4
mp-1226182
9.139853
9.644993
-2.04964
other
Cs2Al1Te3O12
18
166
265.85
mp-756782
10.256202
12.696472
-0.468821
other
Li3Fe3Te1O8
15
166
155.58
mp-754735
7.058729
13.27733
-1.41107
other
Li2Ni3Sb1O8
14
166
149.19
mp-7385
8.783682
0.961469
1.443854
other
K2Be2Pb1F8
13
166
183.4
mp-756321
11.815413
13.531133
-1.415413
other
Li2V3Fe1O8
14
166
145.56
mp-1247076
-5.455539
-0.48317
-4.602832
other
Mg2Co3Mo1S8
14
166
251.49
mp-850894
11.548484
13.768716
-1.477589
other
Li2V3Cu1O8
14
166
148.62
mp-1247066
-5.325498
-0.190474
-5.713789
other
Mg2V1Cr3S8
14
166
267.79
mp-1247216
-4.822315
0.033365
-5.314039
other
Lu1Mg2W3S8
14
166
290.93
mp-12020
-7.185812
-4.752547
5.159122
other
Er1Al4Ge2Au1
8
166
160.08
mp-1222775
7.35369
14.259297
-1.156255
other
Li2Fe1Co1O4
8
166
67.64
mp-771362
11.10868
12.481841
-0.177884
other
Li4Fe3Te1O8
16
166
162.91
mp-1221563
-6.768892
-0.452019
3.422989
other
Mn1V1Fe4Si2
8
166
88.36
mp-2226883
11.63709
9.713822
2.236033
other
Ba3Mg1Nb2O8
14
166
243.91
mp-1227770
9.949369
9.505188
3.858114
other
Ca4La2Zr4O15
25
166
379.98
mp-775023
6.828472
13.118804
-1.294148
other
Li4Fe6Sn2O16
28
166
318.53
mp-1246492
-4.969354
-0.915401
-5.473573
other
Mg2Mn3In1S8
14
166
286.22
mp-1246618
-5.430048
-0.617774
-4.748253
other
Mg2Ni3W1S8
14
166
254.89
mp-752477
1.343907
2.420211
-5.764341
other
K3Na1Fe1Cl6
11
166
331.14
mp-554858
8.856049
0.233468
0.904429
other
Cs4Na2Mn2F12
20
166
366.69
mp-1247038
-2.936067
-2.428192
-5.738314
other
Sm3Mg2Mo1S8
14
166
343.78
mp-771729
9.913267
14.249166
0.209725
other
Li8Mn6Nb2O16
32
166
329.91
mp-850231
6.894885
13.293262
-1.302414
other
Li2Ti1Fe3O8
14
166
151.67
mp-1247309
-2.789498
-2.464633
-5.799676
other
La3Mg2Ti1S8
14
166
364.78
mp-1221685
-7.673499
-1.75623
2.630855
other
Mn1Cr1Ni4Sn2
8
166
111.89
mp-755454
12.925063
12.668674
-0.288299
other
Li3Nb1V3O8
15
166
153.19
mp-753406
9.947859
0.890867
0.064981
other
Li4Ni8O4F12
28
166
313.44
mp-771159
12.828849
12.475967
-0.549766
other
Li4V6W2O16
28
166
320.23
mp-1221846
-7.086975
-0.839617
3.4177
other
Mn4Cr1Co10Si5
20
166
224.4
mp-1247220
-4.603086
-0.287036
-5.340435
other
Lu1Mg2V3S8
14
166
284.34
mp-1215984
-8.48103
-4.914673
2.750577
other
Y1Tm3Sn4Pd8
16
166
309.94
mp-1235038
12.188549
7.631511
-2.641871
other
Ba3Li1As2O8
14
166
228.74
mp-1214482
7.506896
8.288693
-3.077724
other
Ba1Al3P2O14
20
166
263.68
mp-1247206
-5.295432
-0.592092
-4.761039
other
Mg2V1Fe3S8
14
166
239.84
mp-2232296
-5.649002
-0.794899
-4.042699
other
Mg1Co4Ni2S8
15
166
216.13
mp-14638
8.670427
0.715038
1.262103
other
Rb4Li2Ga2F12
20
166
298.43
mp-1246698
-4.48969
-0.841909
-5.71717
other
Mg2V1Ga3S8
14
166
278.83
mp-1222333
1.796724
-0.18101
-2.088312
other
Li1Er4H4Cl4
13
166
221.44
mp-1247094
-4.614604
-0.23051
-5.364871
other
Y1Mg2V3S8
14
166
290.07
mp-1226324
-5.68299
-1.832057
-3.955649
other
Cr3Cu2Ni1Se8
14
166
275.34
mp-1247151
-5.475973
-0.417225
-5.529371
other
Mg2Cr3Co1S8
14
166
259.07
mp-2232243
8.567959
12.561865
-0.983538
other
Mg1Fe2Ni4O8
15
166
155.67
mp-1235381
8.420226
11.667313
-0.745096
other
Li1Cu2Rh4O8
15
166
164.13
mp-1216360
11.170109
13.504963
-0.897317
other
V1Fe1Cu2O4
8
166
92.99
mp-771398
6.516431
13.167642
-1.312694
other
Li3Fe3Cu1O8
15
166
148.54
mp-756590
7.786641
14.07485
-1.348726
other
Li2V1Fe3O8
14
166
152.37
mp-754328
12.983585
12.261315
-0.162264
other
Li4Nb1V3O8
16
166
145.89
mp-552537
8.118288
8.978922
1.183514
other
Sr2Cu1Br1O2
6
166
133.98
mp-753104
7.34067
13.846926
-0.982534
other
Li4Fe3Cu1O8
16
166
149.11
mp-1247197
-5.35036
-0.732423
-4.941531
other
Mg2Cr1Fe3S8
14
166
247
mp-754139
11.133751
13.072066
-0.161958
other
Li2Cr3Te1O8
14
166
159.32
mp-754265
8.174387
14.905452
-0.758089
other
Li2Mg1Mn3O8
14
166
144.86
mp-1174314
7.724183
17.566488
-0.44441
other
Li4Mn3Co1O8
16
166
151.4