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-2227087
11.295974
10.687842
0.854705
other
Ba3Mg1V2O8
14
166
229.47
mp-1246585
-3.952571
-0.669681
-5.076932
other
Sm1Mg2Ti3S8
14
166
298.46
mp-12018
-7.109775
-4.805731
5.297438
other
Nd1Al4Ge2Au1
8
166
166.36
mp-765701
12.26153
13.30547
-0.512767
other
Li4V3Fe1O8
16
166
152.08
mp-849768
7.195261
14.380823
-1.544363
other
Li3Cr1Co3O8
15
166
135.68
mp-753261
11.161616
13.08928
0.134024
other
Li10Mn2Cr6O16
34
166
318.07
mp-1189625
1.296351
2.39423
-5.983053
other
Cs4Li2Sc2Cl12
20
166
585.15
mp-1222534
6.972421
13.520235
-1.055296
other
Li4Al1Ni3O8
16
166
137.96
mp-1246817
-5.338583
-0.468268
-5.689491
other
Mg2Mn1Cr3S8
14
166
268.82
mp-1247189
-4.709216
0.070124
-5.171897
other
Mg2Ti1V3S8
14
166
272.11
mp-2232257
-5.482037
-0.858187
-4.229571
other
Mg1Fe2Ni4S8
15
166
219.53
mp-1225180
-4.640529
-0.971008
-5.710371
other
Fe1Cu2Sn3S8
14
166
276.75
mp-759199
10.257597
13.821913
-0.333708
other
Li4Cr3Fe1O8
16
166
144.34
mp-1247454
-4.836637
-0.136907
-5.442643
other
Mg2Al1V3S8
14
166
269.59
mp-754248
9.024364
14.705215
-0.372303
other
Li4Mn6Nb2O16
28
166
320.8
mp-1217187
-4.611681
-0.319038
-4.880975
other
Ti3Fe1Cu2S8
14
166
239.52
mp-1224031
-4.699148
-2.634101
-4.060946
other
In4Ag2Se6I2
14
166
404.06
mp-1219216
9.695731
10.87881
3.008389
other
Sm3Mg1Ti4O14
22
166
267.55
mp-2232837
-5.311752
-0.947565
-4.281071
other
Mg1Cu2Rh4S8
15
166
253.37
mp-1246969
-5.044006
-0.538826
-5.842352
other
Y1Mg2Cr3S8
14
166
285.06
mp-13634
9.007256
0.65517
1.45017
other
Cs2Li1Al3F12
18
166
258.72
mp-1180189
7.417142
8.301278
-3.364736
other
Na1Al3Cr2O14
20
166
252.02
mp-757216
7.767703
14.345069
-0.938346
other
Li3Mn1Fe3O8
15
166
150.3
mp-756729
9.268852
14.467769
-0.36517
other
Li3Mn3Sb1O8
15
166
165.19
mp-2232194
-3.969813
-1.010355
-4.902379
other
Mg1Zr4Cu2S8
15
166
289.45
mp-1223232
10.023289
9.273286
3.526504
other
La4Ce1Zr3O14
22
166
318.13
mp-1218353
10.883226
9.260613
1.857105
other
Sr1Ca1U2O8
12
166
162.16
mp-756611
9.706466
13.834045
-0.439749
other
Li6Mn6Te2O16
30
166
340.38
mp-12626
8.76684
0.891452
1.558476
other
K2Sr1Be2F8
13
166
180.76
mp-1226318
-5.514201
-0.390286
-5.479569
other
Cr3In1Co2S8
14
166
256.63
mp-1247082
-4.507144
-1.114818
-5.837542
other
Mg2Cr1In3S8
14
166
308.18
mp-760357
9.449441
13.857704
-0.674471
other
Li4V1Fe3O8
16
166
151.61
mp-759964
12.241553
13.501902
-0.885568
other
Li3Mn1V3O8
15
166
149.75
mp-1247163
-5.084617
-0.082133
-5.110545
other
Mg2V3Co1S8
14
166
260.74
mp-755762
12.370299
12.472193
1.179313
other
Li3Ti3Cr1O8
15
166
149.05
mp-1247231
-2.794701
-2.53267
-5.845289
other
Lu3Mg2Ti1S8
14
166
318.97
mp-1247164
-4.082418
-1.21145
-5.699492
other
Mg2Ti1In3S8
14
166
313.32
mp-765603
6.800147
14.595207
-1.395701
other
Li4Fe1Co3O8
16
166
139.69
mp-1224043
-3.937276
-1.240393
-5.727842
other
In4Ag2S6Br2
14
166
344.11
mp-1176736
10.187556
2.240345
2.274067
other
Li4Fe8O4F12
28
166
339.02
mp-1177445
9.937335
14.089052
-0.509847
other
Li4Cr3Co1O8
16
166
147.33
mp-755975
12.611239
13.436684
-0.701345
other
Li2Ti1V3O8
14
166
151.04
mp-2232356
9.485854
13.077663
-0.759979
other
Na1Mg1Fe5O8
15
166
171.77
mp-1246738
-2.809428
-2.448706
-5.83037
other
La3Mg2Cr1S8
14
166
362.62
mp-1191901
9.880497
9.853926
0.949134
other
Nd3Mn2Sb3O14
22
166
294.72
mp-23774
3.497924
-0.67384
-2.47307
other
K4Li2Al2H12
20
166
240.33
mp-1246455
-4.686283
0.142851
-5.019105
other
Mg2Al1Mo3S8
14
166
286.11
mp-14466
8.36935
12.471336
-0.517861
other
K1Li6Ir1O6
14
166
143.07
mp-22102
6.440535
4.917634
-4.45629
other
Na3Ir1N6O12
22
166
283.86
mp-1226525
10.054598
10.284342
-3.105328
other
Cs4W2S2O8
16
166
450.65
mp-1177618
10.081622
14.063844
-0.516339
other
Li3Mn1Cr3O8
15
166
147.61
mp-2232287
-5.477859
-0.957211
-4.004492
other
Mg1Cu2Ir4S8
15
166
257.29
mp-771356
12.120064
13.4582
-0.78065
other
Li4V3Co1O8
16
166
145.96
mp-1246726
-4.869335
-0.983605
-5.445474
other
Dy1Mg2Mn3S8
14
166
291.41
mp-756138
12.608234
12.775286
-0.613375
other
Li4V6Sb2O16
28
166
320.09
mp-643710
6.567317
0.384937
-3.548547
other
Cs3B12H12I1
28
166
414.61
mp-1239264
-5.358799
-0.125299
-5.724895
other
Nb1Cr3Ag2S8
14
166
273.35
mp-1246472
-4.662509
0.127129
-4.972312
other
Mg2In1Mo3S8
14
166
298.52
mp-1223994
-4.79459
-2.531052
-4.035792
other
In4Ag2Se6Br2
14
166
389.26
mp-1247067
-4.200821
-0.490399
-5.116147
other
Mg2Ti3Al1S8
14
166
277.65
mp-24798
6.585901
0.380483
-3.520136
other
Rb3B12H12Cl1
28
166
350.27
mp-754576
4.523202
18.468052
-1.834719
other
Li4Mg1Co3O8
16
166
133.86
mp-1177924
9.118869
14.014135
-0.787537
other
Li4Mn6W2O16
28
166
329.9
mp-1215927
-8.448959
-4.902914
2.730427
other
Y1Er1Sn2Pd4
8
166
156.4
mp-1247174
-5.467041
-0.760205
-4.967403
other
Mg2Cr1Ni3S8
14
166
249.79
mp-1247114
-5.34005
-0.106249
-5.621946
other
Mg2Cr3Mo1S8
14
166
273.68
mp-32309
8.492532
11.035542
0.612044
other
Sr16Re8Ni4O48
76
166
980.62
mp-772177
6.014604
12.562755
-1.525573
other
Li2Fe3Cu1O8
14
166
148.5
mp-756586
8.975568
13.215304
-0.945173
other
Li3Co3Te1O8
15
166
157.44
mp-1247256
-3.03381
-2.431697
-5.940759
other
Lu3Mg2Cr1S8
14
166
315.18
mp-1174567
4.034768
22.549065
-1.202763
other
Li5Mn2Co1O8
16
166
150.28
mp-1216099
10.039418
9.436563
1.073915
other
Y3Sn4Bi1O14
22
166
295.43
mp-1177800
10.79747
14.006569
-0.828933
other
Li4V2Cr6O16
28
166
295.75
mp-1222362
1.850914
1.894872
2.530301
other
Li1Zr4N4Cl4
13
166
226.8
mp-761676
7.751942
13.814562
-1.534241
other
Li2Co3Sb1O8
14
166
140.63
mp-2228671
7.320881
12.534073
-1.292419
other
Mg1Cu2Ni4O8
15
166
150.5
mp-1247079
-4.835787
0.177744
-4.788317
other
Mg2Co1Mo3S8
14
166
277.35
mp-1177815
12.535046
13.17589
-0.808281
other
Li2V3Sn1O8
14
166
160.45
mp-1077905
-7.334532
-2.760694
1.633398
other
In1Rh3Pb1S2
7
166
133.46
mp-771776
9.163343
13.931852
-1.040154
other
Li2Cr3Ni1O8
14
166
135.34
mp-863333
8.456713
14.935158
-0.634051
other
Li3Mn3Fe1O8
15
166
136
mp-1247061
-5.272736
-0.720594
-5.475022
other
Mg2Mn3Cr1S8
14
166
272.66
mp-1219209
8.073024
11.101396
0.915089
other
Sm3Bi1Ru4O14
22
166
279.41
mp-1247166
-2.97476
-2.438948
-5.816191
other
Lu3Mg2W1S8
14
166
319.41
mp-703253
9.003397
6.934098
-3.711517
other
Rb2Fe2Se4O14
22
166
369.2
mp-756615
9.504507
14.135597
-0.776314
other
Li6Cr6Ni2O16
30
166
288.01
mp-1539190
10.490128
11.315524
-2.357607
other
Cs2Hf1W3O12
18
166
295.32
mp-1178043
6.626643
13.248394
-1.454839
other
Li2Cr1Fe3O8
14
166
149.55
mp-1246659
-2.864727
-2.364596
-5.77612
other
La3Mg2W1S8
14
166
363.5
mp-2219567
8.834348
14.732956
-0.853918
other
Mg1Mn3Sn1O8
13
166
158.47
mp-755957
12.153093
13.532918
-1.008671
other
Li3V3Fe1O8
15
166
151.7
mp-1246897
-4.85739
-0.983104
-5.454727
other
Lu1Mg2Mn3S8
14
166
285.66
mp-773086
9.76043
14.025827
-0.163075
other
Li8Mn6Sb2O16
32
166
334.14
mp-1246477
-4.812397
-0.096614
-5.365392
other
Mg2V3Ga1S8
14
166
272.32
mp-1246745
-4.661855
-0.986105
-5.904583
other
Mg2Mn1Al3S8
14
166
269.75
mp-1226157
10.339056
11.292879
-2.213818
other
Cs2Ti1W3O12
18
166
272.76
mp-754424
8.201452
13.294944
-0.733041
other
Li4Nb1Ni3O8
16
166
148.99
mp-1246428
-5.161197
-0.585841
-5.283269
other
Mg2Mn3Mo1S8
14
166
280.54
mp-1246595
-4.694948
0.336147
-4.915124
other
Mg2Mo3W1S8
14
166
281.49
mp-1246616
-4.78816
0.150784
-5.037307
other
Mg2V3Mo1S8
14
166
274.86