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-1225851
9.777664
9.824632
-0.456221
other
Cu2Bi3Sb3O14
22
166
287.76
mp-1228101
9.153585
9.354522
1.378891
other
Ba4Sr1Sn5O15
25
166
364.02
mp-1246790
-5.213611
-0.480463
-5.885328
other
Mg2Al1Cr3S8
14
166
267.28
mp-1222804
10.05145
10.711438
3.314646
other
La1Y3Ti4O14
22
166
270.82
mp-1225336
8.132806
11.150512
0.896282
other
Dy3Bi1Ru4O14
22
166
272.45
mp-1246884
-2.926208
-2.409979
-5.82287
other
Y3Mg2V1S8
14
166
328.84
mp-581446
9.52922
10.980595
0.402421
other
Ba8Re2W3O24
37
166
571.55
mp-771350
6.51453
12.89694
-1.28969
other
Li3Fe1Cu3O8
15
166
145.08
mp-1223169
10.210549
9.589613
3.672601
other
La3Y1Hf4O14
22
166
295.43
mp-1216103
10.2761
10.364312
3.207956
other
Y4Ti3Sn1O14
22
166
270.78
mp-1247489
-4.345831
-0.980825
-5.694876
other
Mg2V1In3S8
14
166
310.84
mp-756375
7.0192
13.295549
-1.033034
other
Li4Fe1Cu3O8
16
166
144.42
mp-23582
6.975828
10.992479
-1.232819
other
K1Li6Bi1O6
14
166
148.11
mp-759919
8.738045
14.116322
-0.717447
other
Li4Cr1Fe3O8
16
166
151.26
mp-1226312
9.548331
2.023358
1.538466
other
Cs2Li1V3F12
18
166
298.01
mp-556409
6.706823
11.387103
1.196523
other
Ba7Ca2Mn5O20
34
166
526.33
mp-756158
12.403332
12.663152
1.075359
other
Li8Ti12V4O32
56
166
610.67
mp-1246487
-4.378253
-0.859929
-5.52954
other
Mg2In3Mo1S8
14
166
314.42
mp-1246314
-2.891978
-2.372047
-5.685111
other
Mg2Sc3Ti1S8
14
166
298.63
mp-1217465
-5.955711
-2.931165
3.826225
other
Ti8In4Co1Ni3
16
166
267.41
mp-1246687
-2.994311
-2.347783
-5.810691
other
Y3Mg2W1S8
14
166
330.88
mp-1246739
-2.949009
-2.420071
-5.723538
other
Lu3Mg2Mo1S8
14
166
319.96
mp-1221599
-7.032232
-0.898183
3.284921
other
Mn1V1Co4Si2
8
166
88.56
mp-1247155
-4.684981
-0.755067
-5.854925
other
Mg2Al3W1S8
14
166
273.49
mp-753971
6.411926
13.6365
-1.273913
other
Li5Fe1Ni4O10
20
166
175.45
mp-1218863
10.044544
10.983652
3.363221
other
Sr2Ce2Ti5O15
24
166
298.35
mp-2215902
8.475492
11.59457
-0.751676
other
Mg1Cu2Rh4O8
15
166
168.09
mp-1246825
-5.382128
-0.678799
-4.793959
other
Mg2V1Ni3S8
14
166
248.39
mp-1228358
7.307999
11.40309
1.934268
other
Ba8Ti4Mn4O24
40
166
541.34
mp-777721
9.75561
13.049707
-0.840923
other
Li2Fe3W1O8
14
166
160.11
mp-2232109
9.246644
13.321413
-0.833848
other
Mg1Fe4Cu2O8
15
166
164.18
mp-1247178
-5.305231
-0.480724
-4.680223
other
Mg2Fe3Mo1S8
14
166
248.33
mp-561553
7.056433
11.612659
1.824408
other
Ba4Ce1Mn3O12
20
166
292.84
mp-2228644
-5.043471
-0.030565
-5.239372
other
Mg1V4Cu2S8
15
166
255.86
mp-756706
7.582544
14.662234
-1.208562
other
Li4Cr1Co3O8
16
166
144.35
mp-756926
7.079498
13.206629
-1.206416
other
Li4Ni3Bi1O8
16
166
157.13
mp-756879
8.327288
14.858464
-1.014925
other
Li2Mn3Fe1O8
14
166
148.45
mp-1222963
-7.609273
0.869878
3.849707
other
La1Fe6Co6B6
19
166
195.63
mp-774219
7.233894
14.585032
-1.533269
other
Li3Mn1Co3O8
15
166
134.73
mp-1220577
10.306567
9.322393
3.770965
other
Nd3Gd1Zr4O14
22
166
300.29
mp-1227811
9.874424
10.612684
3.351392
other
Ca2La4Ti5O18
29
166
353.83
mp-1217153
-4.560972
-0.428472
-4.861078
other
Ti3Cu2Ni1S8
14
166
247.64
mp-9518
11.348733
8.10465
2.831789
other
Nd2Zn2P2O2
8
166
144.38
mp-1191110
9.815239
9.807589
0.995793
other
La6Mn4Sb6O28
44
166
604.53
mp-1247063
-3.962282
-0.65895
-5.059751
other
Dy1Mg2Ti3S8
14
166
295.3
mp-2232358
-5.347248
-0.859255
-4.757359
other
Mg1Zn2Ni4S8
15
166
244.44
mp-768413
5.890191
12.998302
-1.588742
other
Li2Fe1Ni3O8
14
166
138.2
mp-756866
8.847624
14.807945
-0.467325
other
Li2Ti1Mn3O8
14
166
150.26
mp-22516
6.342322
4.965377
-4.505689
other
Na3Co1N6O12
22
166
274.37
mp-1226085
-4.573371
-0.972441
-5.807974
other
Co1Cu2Sn3S8
14
166
277.68
mp-756370
7.524542
12.955179
-1.377692
other
Li4Ni6W2O16
28
166
300.96
mp-6494
8.60113
3.708579
-7.115742
other
K2Ca1C2O6
11
166
150.24
mp-1246934
-4.382942
-0.370068
-4.963934
other
Mg2Ti3Ni1S8
14
166
279.84
mp-756596
8.258498
14.628736
-1.120292
other
Li2Mn3Cu1O8
14
166
146.16
mp-769624
6.639435
14.155786
-1.701158
other
Li3Co3Cu1O8
15
166
143.16
mp-759316
9.012557
15.153462
-0.511872
other
Li2Mn4O6F2
14
166
157.88
mp-550820
11.338017
8.092131
2.833202
other
Sm2Zn2P2O2
8
166
140.1
mp-15634
8.549293
1.268919
1.506293
other
Cs4Na2Ti2F12
20
166
369.61
mp-21099
10.34239
4.482877
-6.82414
other
K2Pb1S2O8
13
166
191.93
mp-756678
8.999479
14.628203
-1.123053
other
Li2Mn3V1O8
14
166
148.83
mp-1217235
10.372494
11.25406
1.781516
other
Ti8Fe2Bi6O28
44
166
539.58
mp-1247193
-5.067607
-0.106409
-5.099868
other
Mg2V3Fe1S8
14
166
259.44
mp-756948
8.269312
12.905523
-0.835692
other
Li4Cu3Sb1O8
16
166
153.09
mp-984788
8.295088
10.54064
1.426862
other
Ba4Er1Ru3O12
20
166
298.11
mp-752703
6.027799
13.330812
-1.685319
other
Li2Co1Ni3O8
14
166
131.16
mp-1228095
11.723685
10.787172
-1.582005
other
Ba3Mo2N2O6
13
166
232.05
mp-1178030
10.937011
13.14191
-0.091986
other
Li4Cr6Sb2O16
28
166
311.98
mp-754595
11.055878
13.008534
1.011529
other
Li2Ti3Fe1O8
14
166
147.92
mp-1188841
10.921507
11.562532
-3.532287
other
Ba1Nb2V2O11
16
166
267.1
mp-2227063
11.528654
10.989062
0.412085
other
Yb1Mg1Fe2O4
8
166
98.68
mp-1247295
-2.94595
-2.476424
-5.924737
other
Sm3Mg2Cr1S8
14
166
341.42
mp-1218076
10.69909
10.375374
1.693464
other
Ta3Zn2Bi3O14
22
166
290.72
mp-1246597
-2.778533
-2.49844
-5.857027
other
Dy3Mg2Ti1S8
14
166
330.99
mp-1221820
-8.312565
-3.949713
2.06154
other
Mn2In1Sn1Pd4
8
166
132.63
mp-8127
8.583155
3.738967
-7.125421
other
K2Mg1C2O6
11
166
131.45
mp-1226191
9.61191
9.637002
-1.748528
other
Cs2Ge1Te3O12
18
166
254.05
mp-2224776
10.019282
12.791825
-0.645106
other
Mg1Fe4Co2O8
15
166
164.14
mp-1247288
-3.011668
-2.388737
-5.902003
other
Y3Mg2Cr1S8
14
166
328.54
mp-1247438
-4.968978
-0.633866
-5.757061
other
La1Mg2Cr3S8
14
166
294.51
mp-760366
10.371531
0.717942
0.444399
other
Li2Co4O2F6
14
166
161.11
mp-638442
-4.492765
-4.694067
6.047575
other
Gd2Al6Si4Au1
13
166
260.4
mp-569396
-5.834108
-6.492909
3.687619
other
Ba1Li2Mg2Ge2
7
166
162.12
mp-1177875
12.685766
11.632619
1.74573
other
Li2Ti3Nb1O8
14
166
156.79
mp-1247126
-2.832803
-2.479174
-5.859466
other
Dy3Mg2V1S8
14
166
331.99
mp-17315
8.688841
1.563576
1.3938
other
Zr6Tl4O2F24
36
166
544.57
mp-2219051
6.273336
13.442237
-2.109211
other
Mg1Co3Ni1O8
13
166
140.74
mp-1174054
6.110132
18.351801
-1.142192
other
Li4Mn1Co3O8
16
166
145.24
mp-1216097
8.167582
11.182157
0.874214
other
Y3Bi1Ru4O14
22
166
272.75
mp-1220207
8.146151
10.963569
0.634632
other
Nd1Bi3Ru4O14
22
166
281.46
mp-765747
11.518511
13.107478
0.345081
other
Li4Ti1Cr3O8
16
166
147.97
mp-1222097
-6.974989
-0.285881
3.510026
other
Mn4Fe8Si1Ge3
16
166
184.07
mp-772822
8.473498
12.798528
-1.009119
other
Li3Cu3Te1O8
15
166
156.44
mp-1228725
0.409326
1.473173
-0.466388
other
Ba10Br1N5Cl4
20
166
580.03
mp-755590
6.23653
12.575641
-1.452928
other
Li2Ni3Bi1O8
14
166
154.14
mp-1246560
-2.79101
-2.441567
-5.789741
other
La3Mg2V1S8
14
166
362.31
mp-1247152
-4.215641
-1.044314
-5.740923
other
Mg2Ti1Ga3S8
14
166
282.11
mp-1223092
10.261179
9.416845
3.754039
other
La3Nd1Zr4O14
22
166
320.98
mp-560380
8.270712
10.527243
1.416755
other
Ba4Ho1Ru3O12
20
166
300.01
mp-2232137
-5.004412
-0.852508
-5.459891
other
Mg1Mn4Zn2S8
15
166
277.7
mp-760347
12.840703
11.900185
0.787209
other
Li4Ti3V1O8
16
166
150.73