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-1222222
-7.580227
-0.774075
3.266429
other
Mn4Ga3Co8Ge1
16
166
187.31
mp-1247447
-3.185709
-2.340369
-5.680305
other
Mg2Sc3Mn1S8
14
166
299.05
mp-19189
9.50176
6.972528
-3.455034
other
K4Co2Se4O12
22
166
342.56
mp-1246534
-4.821098
0.147457
-4.839337
other
Mg2Fe1Mo3S8
14
166
277.97
mp-1246942
-5.038978
-0.109561
-5.13346
other
Mg2V3Ni1S8
14
166
263.96
mp-754773
7.800239
14.056684
-1.019673
other
Li3Cr1Fe3O8
15
166
151.44
mp-1222190
10.668222
10.326852
1.664895
other
Mg2Nb3Bi3O14
22
166
290.43
mp-1218563
1.182267
2.052185
-1.597147
other
Sr4I1Br1N2
8
166
210.42
mp-2218630
8.371538
14.566917
-1.141894
other
Mg1Mn3Fe1O8
13
166
146.56
mp-763916
11.180011
12.984807
0.132052
other
Li5Cr3Fe1O8
17
166
154.68
mp-1247161
-5.078774
-0.024569
-5.335215
other
Mg2V3Cr1S8
14
166
269.17
mp-1219208
9.498946
11.11697
2.690654
other
Sm3Ti4Co1O14
22
166
266.75
mp-1226771
-4.065966
-1.320886
-5.847586
other
Cd1Ag2Sn3S8
14
166
326.03
mp-1246624
-4.571064
0.070987
-4.870966
other
Dy1Mg2Mo3S8
14
166
302.4
mp-1192456
-7.918921
0.636411
4.701812
other
Nd2Fe15Co2H3
22
166
264.52
mp-1217234
-6.265506
-3.183542
3.558549
other
Ti8Co3Ni1Sn4
16
166
264.43
mp-1239209
-5.344887
-0.146372
-5.692281
other
Ta1Cr3Ag2S8
14
166
273.38
mp-755496
7.52968
13.657717
-0.938897
other
Li4Ni3Sn1O8
16
166
150.72
mp-1225099
-4.409135
-1.02861
-5.620716
other
Fe1Ag2Sn3S8
14
166
300.13
mp-780873
9.236074
14.059715
-1.227687
other
Li2Cr3Cu1O8
14
166
146.05
mp-1247128
-5.034754
-0.575791
-5.825457
other
Sm1Mg2Cr3S8
14
166
289.28
mp-1222018
11.191125
13.162224
-0.169745
other
Mn2Cr3Fe1O8
14
166
160.01
mp-2232697
-5.551523
-0.684883
-4.593522
other
Mg1Zn2Co4S8
15
166
238.36
mp-2232376
8.071865
13.48935
-0.92452
other
Na2Mg1Fe4O8
15
166
171.06
mp-1247047
-2.822118
-2.517092
-5.826783
other
Sm3Mg2Ti1S8
14
166
344.54
mp-1247121
-2.872119
-2.37823
-5.718332
other
La3Mg2Mo1S8
14
166
364.87
mp-554015
6.601796
5.807945
-3.365309
other
Cs1K1Cl2O8
12
166
222.2
mp-768844
8.818967
14.686718
-1.047807
other
Li2Mn3Cr1O8
14
166
147.12
mp-1223997
11.0965
8.741029
1.462396
other
K4Ba1U3O12
20
166
347.47
mp-863330
9.829
14.08171
-0.626224
other
Li3Cr3Fe1O8
15
166
146.54
mp-1235830
12.678661
8.35743
0.161221
other
Li1Al4Cd2O8
15
166
159.43
mp-1246384
-5.289481
-0.768136
-4.826943
other
Mg2Mn1Fe3S8
14
166
244.74
mp-2232189
8.90568
14.702029
-0.770196
other
Mg1Mn3Cu3O8
15
166
165.8
mp-1227686
10.744279
11.570831
3.303886
other
Ca3Ta4O12F2
21
166
291.65
mp-2227354
12.293978
10.221851
0.911413
other
Tm1Mg1Fe2O4
8
166
101.26
mp-646670
7.359999
12.967637
-1.252283
other
Ba4Co8Cl2O14
28
166
438.16
mp-1247091
-4.554599
0.091855
-4.787644
other
Mg2Sc1Mo3S8
14
166
294.39
mp-2232290
10.24046
12.67382
-0.626922
other
Mg1Fe5Cu1O8
15
166
168.18
mp-1234928
11.472562
12.287991
0.208874
other
Ca1Cr4Hg2O8
15
166
193.9
mp-1247211
-4.622198
-0.21877
-5.267363
other
Mg2Sc1V3S8
14
166
278.11
mp-772509
12.763594
12.928897
-0.404169
other
Li4Nb2V6O16
28
166
317.68
mp-1221783
-4.250206
-1.127259
-5.821182
other
Mn1Ag2Sn3S8
14
166
316.97
mp-2232213
-4.19437
-0.34846
-4.836982
other
Mg1Ti4Cu2S8
15
166
259.33
mp-776115
8.553874
13.627365
-0.946372
other
Li4Nb2Fe6O16
28
166
316.93
mp-1247186
-5.281332
-0.783167
-5.203129
other
Mg2Mn3Fe1S8
14
166
261.47
mp-1247020
-4.737888
-0.908532
-6.009393
other
Mg2Al3Cr1S8
14
166
267.36
mp-2219201
8.278688
14.443498
-1.294942
other
Mg1Mn3Cu1O8
13
166
148.49
mp-2240460
12.470066
10.415216
0.675449
other
Mg1In1Fe2O4
8
166
98.63
mp-1247291
-4.756726
-0.15074
-5.42391
other
Mg2V3In1S8
14
166
282.18
mp-558211
9.059041
0.265818
0.480211
other
Cs4Na2Co2F12
20
166
347.35
mp-1246535
-4.571752
-1.015928
-5.787543
other
Mg2Mn1Ga3S8
14
166
279.21
mp-1274754
8.912369
10.813677
1.193361
other
Sr4Cr2Os2O12
20
166
249.46
mp-756700
12.104972
13.596738
-1.189937
other
Li3V3Co1O8
15
166
145.29
mp-1247466
-3.24688
-2.258284
-5.717107
other
Mg2Sc3Cr1S8
14
166
295.26
mp-1218510
10.242235
10.463054
3.820374
other
Sr3Zr2Nb2O12
19
166
278
mp-1217139
-4.556623
-0.434381
-4.982085
other
Ti3Mn1Cu2S8
14
166
250.32
mp-1215741
10.860763
13.280886
-0.235617
other
Zn2Cr3Fe1O8
14
166
154.18
mp-1222170
8.641109
13.249717
-0.651163
other
Mg3Mn1Ni3O8
15
166
150.56
mp-754723
11.672667
11.971414
1.825603
other
Li2Ti3Bi1O8
14
166
178.76
mp-756157
6.100711
13.10585
-1.649451
other
Li2Fe3Co1O8
14
166
145.63
mp-752608
11.630867
13.611846
-1.461698
other
Li2V3Co1O8
14
166
141.89
mp-754780
10.349552
13.275626
0.877633
other
Li2Ti3Co1O8
14
166
146.98
mp-1177936
9.449219
6.761113
-3.690076
other
Li8Mn4Se8O24
44
166
633.1
mp-1226623
10.221278
9.189403
3.655044
other
Ce1Nd4Zr3O14
22
166
322.52
mp-1225352
-7.435095
-0.444294
3.336326
other
Ga3Fe4Co8Si1
16
166
180.17
mp-1226394
-5.601294
-1.808072
-4.140604
other
Cr4Cu2Se6Br2
14
166
292.66
mp-2225924
11.939567
10.289705
1.040051
other
Dy1Mg1Mn2O4
8
166
109.09
mp-1228949
-7.421747
-0.664512
3.487566
other
Al2Cr1Fe1Co4
8
166
92.49
mp-756810
10.598477
11.544307
3.435472
other
Sr3Ta4O12F2
21
166
304.71
mp-1177345
7.152261
14.184717
-1.09494
other
Li4Mn1Ni3O8
16
166
141.38
mp-1225388
8.132573
10.986738
0.60683
other
Dy1Bi3Ru4O14
22
166
278.2
mp-1246965
-2.97353
-2.33644
-5.716778
other
Y3Mg2Mo1S8
14
166
332.4
mp-1247273
-2.949001
-2.515997
-5.861109
other
Sm3Mg2Mn1S8
14
166
345.52
mp-11629
-4.55465
-4.601117
6.045883
other
Tb2Al6Si4Au1
13
166
255.2
mp-1247103
-5.534278
-0.643787
-4.646406
other
Mg2Mn1Co3S8
14
166
241.06
mp-1227521
-8.825045
-6.343694
2.962415
other
Ce3Y1In4Au8
16
166
356.66
mp-1106055
9.798213
10.534475
-3.541298
other
Rb4Mo2S2O8
16
166
391.13
mp-1225114
-7.194215
-0.585701
3.32004
other
Ga1Fe4Co8Si3
16
166
180.85
mp-1247039
-5.213871
-0.697181
-4.810905
other
Mg2Ti1Ni3S8
14
166
254.58
mp-1246443
-5.056247
-0.857835
-5.443058
other
Mg2Mn3Ga1S8
14
166
274.57
mp-9259
13.331785
4.805524
-1.525526
other
Ba2Mg1B2O6
11
166
138.11
mp-642737
9.928326
3.684793
-4.209644
other
Cu4H6Cl2O6
18
166
193.4
mp-1174154
5.894131
18.504101
-1.264469
other
Li4Mn1Co3O8
16
166
145.96
mp-1247226
-3.077669
-2.292717
-5.646722
other
Mg2Sc3V1S8
14
166
297.38
mp-2219075
8.285571
14.429801
-1.288441
other
Mg1Mn3Cu1O8
13
166
149.43
mp-753764
6.300591
14.18455
-1.768062
other
Li3Co3Ni1O8
15
166
140.35
mp-756528
11.525501
12.477501
-0.246467
other
Li4Fe3W1O8
16
166
162.15
mp-2226836
8.213064
14.314169
-1.303694
other
Mg1Mn3Ni1O8
13
166
146.47
mp-19137
9.500036
6.862871
-3.662087
other
K8Mn4Se8O24
44
166
719.06
mp-1221859
-8.966475
-4.629866
3.206515
other
Mn2In1Cu4Sn1
8
166
119.48
mp-24241
6.573747
0.39791
-3.522713
other
Rb3B12H12I1
28
166
374.19
mp-760232
11.996427
12.618559
0.10908
other
Li5V1Cr3O8
17
166
158.63
mp-1246861
-4.285851
-0.17883
-4.944818
other
Mg2Ti3V1S8
14
166
277.21
mp-12309
8.956844
0.663226
1.473183
other
Cs2Na1Al3F12
18
166
273.33
mp-1247173
-5.026965
-0.853847
-5.511436
other
Mg2Mn3Al1S8
14
166
272.52
mp-9202
8.819987
0.659751
0.688707
other
Cs2Zr1Cu3F12
18
166
319.8
mp-1246743
-4.89024
0.171381
-5.241769
other
Mg2V3W1S8
14
166
269.68
mp-672244
-6.602205
-5.294324
5.119232
other
Gd1Al4Ge2Au1
8
166
198.24
mp-1177610
12.802027
12.20359
0.819553
other
Li3Ti3V1O8
15
166
150.92
mp-1104828
7.943555
6.718899
-4.974691
other
Pb1S2N2O8
13
166
211.4