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-1246759
-4.784382
-1.017923
-5.379711
other
La1Mg2Mn3S8
14
166
299.76
mp-1218138
-3.399025
0.23668
0.576151
other
Ta8Ni1C4S8
21
166
321.31
mp-1247024
-3.016735
-2.23621
-5.671103
other
Mg2Sc3W1S8
14
166
299.15
mp-1228088
9.582834
9.477383
3.836317
other
Ba4Sr1Hf5O15
25
166
369.49
mp-1247139
-4.529632
-0.668291
-5.764086
other
Mg2Ga3W1S8
14
166
283.9
mp-1217339
-6.030382
-2.89079
3.892283
other
Ti4In2Co1Ni1
8
166
132.53
mp-1246893
-4.865058
-0.986852
-5.439843
other
Sm1Mg2Mn3S8
14
166
296.18
mp-1215651
-4.577534
-0.736528
-4.974507
other
Zr3Fe1Cu2S8
14
166
269.57
mp-1228784
0.484876
1.547835
-0.881878
other
Ba10I1Br4N5
20
166
617.38
mp-1222680
6.568557
15.462783
-1.448679
other
Li5Fe1Co4O10
20
166
180.5
mp-1221408
-8.347448
-3.91868
2.075966
other
Mn5In4Sb1Pd10
20
166
331.32
mp-1178047
11.628044
12.780078
-0.06263
other
Li4Cr6W2O16
28
166
312.8
mp-755343
8.245644
13.238345
-1.344274
other
Li2Co3Te1O8
14
166
142.81
mp-1216224
9.957052
9.922359
0.895816
other
Y3Mn2Sb3O14
22
166
282.18
mp-1540553
9.726412
9.767524
-1.7499
other
Rb2Ti1Te3O12
18
166
259.07
mp-754682
6.931486
13.981466
-1.72808
other
Li2Ti1Co3O8
14
166
134.01
mp-1247250
-4.428984
-1.179101
-5.77394
other
Mg2Mn1In3S8
14
166
310.96
mp-2232261
9.667491
12.851767
-0.737856
other
Mg1Fe4Hg2O8
15
166
186.34
mp-17256
8.571912
1.352979
1.422722
other
Rb4Hf6O2F24
36
166
501.48
mp-11630
-4.653715
-4.375381
6.166366
other
Dy2Al6Si4Pt1
13
166
254.2
mp-1177871
7.267453
13.820446
-1.568331
other
Li2Nb1Co3O8
14
166
155.18
mp-1247053
-4.498173
-0.65021
-5.634755
other
Mg2Ga3Mo1S8
14
166
283.69
mp-771246
12.737837
12.771716
-0.662211
other
Li2V3Te1O8
14
166
163.77
mp-2232157
7.680481
13.278458
-1.652544
other
Mg1Be2Co4O8
15
166
137.37
mp-11628
-4.695939
-4.350118
6.097147
other
Tb2Al6Si4Pt1
13
166
253.03
mp-753590
6.742396
13.873135
-1.35518
other
Li3Fe3Co1O8
15
166
147.38
mp-861570
6.413636
13.926492
-1.866561
other
Li4Fe2Co6O16
28
166
273.19
mp-770341
10.971742
13.409428
-0.022484
other
Li8Al2Cr6O16
32
166
288.91
mp-1247101
-3.995417
-0.645556
-5.06707
other
Lu1Mg2Ti3S8
14
166
291.08
mp-756537
9.348166
12.889028
-0.56609
original
Li4Ni3W1O8
16
166
152.38
mp-1315383
6.761551
14.659051
-1.527413
other
Li8Co6Ni2O16
32
166
280.89
mp-13206
11.354327
8.094945
2.835757
other
Pr2Zn2P2O2
8
166
146.86
mp-1247098
-2.935682
-2.428635
-5.823256
other
Sm3Mg2W1S8
14
166
343.41
mp-1276755
8.166673
10.866195
1.160847
other
Sr4Fe2Os2O12
20
166
252.67
mp-1246889
-4.543196
0.050909
-4.831085
other
La1Mg2Mo3S8
14
166
311.75
mp-756536
11.054372
13.134233
1.152921
other
Li4Ti6Mn2O16
28
166
315.51
mp-504611
8.939167
0.30471
0.910227
other
Cs4Na2Fe2F12
20
166
363.89
mp-1224726
8.097219
11.08267
0.893338
other
Gd3Bi1Ru4O14
22
166
275.67
mp-1247022
-4.38249
-1.001549
-5.8556
other
Mg2Ti1Al3S8
14
166
273.39
mp-571527
1.404888
2.622924
-5.93965
other
Cs4Li2In2Cl12
20
166
565.18
mp-1216924
9.91111
12.765936
-0.183428
other
Ti1Cu2Ni1O4
8
166
91.05
mp-756414
9.20859
14.13786
-1.13565
other
Li2Cr3Co1O8
14
166
145.42
mp-850187
12.248958
13.585836
-0.897082
original
Li2V3Cr1O8
14
166
147.72
mp-1246962
-4.028907
-0.545773
-5.048967
other
Mg2Sc1Ti3S8
14
166
284.25
mp-1218495
9.980932
11.252142
3.364912
other
Sr4Ti3Nb2O15
24
166
314.56
mp-733849
12.503035
5.536166
-5.852073
other
Li12P12H12O42
78
166
931.79
mp-1247115
-4.501947
-0.293901
-5.007365
other
Mg2Ti3Fe1S8
14
166
265.38
mp-756280
11.74109
12.815869
1.404682
other
Li8Ti12Cr4O32
56
166
604.69
mp-756423
6.71394
13.661291
-1.778853
other
Li2Co3Bi1O8
14
166
147.72
mp-24799
6.577672
0.406507
-3.481517
other
Cs3B12H12Cl1
28
166
383.02
mp-1226279
-9.006988
-4.603442
3.052818
other
Cr1Cu4Ni1Sn2
8
166
116.73
mp-1246588
-2.919475
-2.500133
-5.92522
other
Dy3Mg2Mn1S8
14
166
330.64
mp-1223094
10.007435
10.579368
3.290779
other
La3Y1Ti4O14
22
166
282.9
mp-1220114
-4.230127
-1.118041
-5.737538
other
Ni1Ag2Sn3S8
14
166
297.97
mp-1247060
-2.944678
-2.381785
-5.80043
other
Dy3Mg2W1S8
14
166
329.87
mp-11631
-4.49979
-4.645349
6.05969
other
Dy2Al6Si4Au1
13
166
257.38
mp-1246859
-4.585766
0.061191
-4.866118
other
Sm1Mg2Mo3S8
14
166
305.87
mp-772317
6.360845
4.975472
-4.477902
other
Li3Co1N6O12
22
166
235.44
mp-754314
9.931441
13.94169
-0.50762
other
Li4Cr3Ni1O8
16
166
146.36
mp-1221615
-7.704813
-1.829472
2.644866
other
Mn1V1Ni4Sn2
8
166
111.69
mp-772478
9.581722
12.888333
-0.631058
other
Li4Co3Te1O8
16
166
157.15
mp-19011
9.546662
9.536293
-0.224549
other
Ba4Ni2Te2O12
20
166
289.33
mp-555245
6.691811
11.646172
1.583047
other
Ba4Nd1Mn3O12
20
166
300.52
mp-1247142
-5.535186
-0.522862
-4.635618
other
Mg2Co3W1S8
14
166
249.38
mp-1228174
9.881226
10.655362
3.317838
other
Ba7Ti2Nb4O21
34
166
497.14
mp-13207
11.581866
8.151788
2.916508
other
Ce2Zn2P2O2
8
166
142.16
mp-1216459
-7.419518
-0.730161
3.289866
other
V1Ga2Fe1Co4
8
166
94.77
mp-1218383
1.063367
1.928405
-1.035919
other
Sr4Br1N2Cl1
8
166
195
mp-1247033
-4.156892
-0.464124
-5.019898
other
Mg2Ti3Ga1S8
14
166
278.31
mp-1236250
9.269068
12.582372
-1.032125
other
Li1Co5Sb1O8
15
166
163.16
mp-1106249
8.553123
10.775862
1.00509
other
Ba4Co1Re2O12
19
166
265.01
mp-23758
5.329908
-0.437275
-2.996754
other
K1Na1B2H8
12
166
128.02
mp-1247054
-2.856138
-2.476645
-5.780421
other
La3Mg2Mn1S8
14
166
363.31
mp-1247131
-4.8868
-0.924361
-5.421567
other
Mg2Sc1Mn3S8
14
166
282.77
mp-6528
8.614689
0.551486
1.541359
other
Cs4Na2Al2F12
20
166
345.63
mp-1246563
-5.023963
-0.589483
-5.804051
other
Lu1Mg2Cr3S8
14
166
281.34
mp-1077901
-6.961253
-1.172188
2.300702
other
In1Co3Sn1S2
7
166
111.22
mp-1222434
8.163123
11.175301
0.936878
other
Lu3Bi1Ru4O14
22
166
263.23
mp-1215809
-5.676278
-3.252422
3.845727
other
Zr12Ti4Ni8O1
25
166
420.96
mp-1221799
8.731343
14.496791
-1.315837
other
Mn3Cu2Ni1O8
14
166
148.73
mp-756491
7.758054
13.853924
-0.853726
other
Li4Mn1Cu3O8
16
166
144.35
mp-561567
8.86519
0.365923
0.634585
other
Cs4Cd1Ni3F12
20
166
348.97
mp-1218036
-3.494932
0.270248
0.607033
other
Ta8V1C4S8
21
166
326.9
mp-757069
8.690647
14.115347
-1.086138
other
Li3V1Fe3O8
15
166
152.38
mp-1247026
-5.272491
-0.181577
-5.811871
original
Mg2Ti1Cr3S8
14
166
270.41
mp-756307
12.777003
13.17915
-0.352074
other
Li6Ti2V6O16
30
166
306.06
mp-1222191
-7.549937
-0.781523
3.32778
other
Mn4Cr1Ga5Co10
20
166
233.82
mp-1226122
-4.266037
-1.066765
-5.715535
other
Co1Ag2Sn3S8
14
166
293.79
mp-1239166
-5.489316
-0.194531
-5.717774
other
Ta1Cr3Cu2S8
14
166
248.36
mp-754232
9.622858
12.923562
-0.597974
other
Li4Co3W1O8
16
166
155.33
mp-756154
9.907757
13.998694
-0.6899
other
Li4Cr6Bi2O16
28
166
326.73
mp-1247030
-4.561201
0.0611
-4.862118
other
Lu1Mg2Mo3S8
14
166
299.14
mp-1247559
-4.228902
-0.06219
-4.905047
other
Mg2Ti3Mo1S8
14
166
277.53
mp-2240855
6.674712
13.284549
-1.89258
other
Mg1Co3Bi1O8
13
166
162.96
mp-1246501
-5.289009
-0.755444
-5.213984
other
Mg2Mn3Co1S8
14
166
261.71
mp-1246925
-2.823299
-2.456602
-5.834914
other
Y3Mg2Ti1S8
14
166
330.7
mp-772016
7.67157
13.334644
-1.1484
other
Li3Ni3Sb1O8
15
166
151.1
mp-756193
6.19822
13.429822
-1.587553
original
Li2Mn1Ni3O8
14
166
136.72
mp-15549
8.951622
0.773728
1.431268
other
K4Li2Al2F12
20
166
243.03
mp-22663
9.137537
0.315705
0.887126
other
Rb4Li2Fe2F12
20
166
303.72