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-600169
8.125216
4.871519
-5.889466
other
Co6H6C6O18
36
148
394.53
mp-569905
-1.116735
1.304972
-1.748257
other
Na1La6Os1I12
20
148
874.42
mp-1233043
7.807765
11.033765
2.089923
other
La2Mg1Cr1O6
10
148
117.02
mp-1383318
8.268764
10.758775
2.312951
other
Ca1La2Cr1O6
10
148
136.6
mp-6459
8.590052
3.728497
-7.06877
other
Ca1Mg1C2O6
10
148
110.94
mp-11585
10.261971
8.588191
2.151604
other
La2Mg1Ge1O6
10
148
120.82
mp-2230104
7.408434
9.729239
-1.22118
other
Mg1Tl6W1O12
20
148
303.6
mp-1194723
7.900362
3.073053
-3.536544
other
Sr6C24O24F36
90
148
1,354.2
mp-2240417
6.664382
8.858212
-0.730143
other
Na2Mg1Bi2O6
11
148
162.57
mp-555314
12.516398
6.289473
-0.048062
other
Sr7Zr1Si6O21
35
148
527.24
mp-1204815
9.270637
3.668169
-5.138748
other
Co6H12C6O18
42
148
458.03
mp-769558
8.099026
4.477726
-6.97099
other
Li1Mn1C2O6
10
148
99.42
mp-554155
12.279103
6.879342
-6.809464
other
K1Sb1P2O8
12
148
175.8
mp-6692
9.098716
9.054557
2.20685
other
Ba2Pr1Sb1O6
10
148
164.48
mp-1238387
11.99453
5.035975
-5.246928
other
Cd6P12H24O48
90
148
1,097.33
mp-859102
11.453232
7.412199
-2.25595
other
Li6Fe6Si6O24
42
148
528.2
mp-1216586
13.527665
4.652629
-1.356068
other
Tm1Sc1B2O6
10
148
109.71
mp-11715
13.776291
4.906419
-2.462717
other
Mg1Sn1B2O6
10
148
99.57
mp-24037
7.914877
1.604439
-4.263533
other
Co2H18C6N12
38
148
380.56
mp-1103865
14.67026
7.737384
-5.118075
other
Ba2Fe4P4O16
26
148
337.45
mp-672348
4.078787
2.26596
-3.148007
other
K3Au3C6N6
18
148
427.57
mp-1408168
9.523712
9.085816
2.22619
other
La2Zn1Sn1O6
10
148
134.66
mp-545436
6.209956
8.633998
-1.000275
other
Ba2Yb1Bi1O6
10
148
166.08
mp-1227118
6.809742
11.202924
0.768612
other
Ca6Co3Rh1O12
22
148
259.68
mp-1222346
-5.790246
1.474879
-4.692325
other
Li1Mo6Se2S6
15
148
282.45
mp-2217993
8.575063
13.924814
-0.975914
other
Mg1Mn2Ni2O6
11
148
114.53
mp-643801
9.849341
4.978798
-4.006809
other
K2H6Pb1O6
15
148
172.68
mp-17455
10.172704
4.411298
-6.955498
other
K7Ta1S6O24
38
148
614.23
mp-761046
14.512444
7.521579
-4.625634
other
Na6Ti4P6O24
40
148
519.35
mp-1045776
11.789676
13.15029
-1.999482
other
Al1V4Cu3O12
20
148
199.08
mp-551269
9.162852
9.177407
2.307812
other
Ba2La1Sb1O6
10
148
161.8
mp-1223253
7.669432
11.42887
1.924184
other
La2Mn1Ni1O6
10
148
119.9
mp-22213
14.131614
5.670498
-2.764043
other
Mn1Sn1B2O6
10
148
104.97
mp-1021510
12.915174
5.981948
-7.612964
other
Li2Ge4P6O24
36
148
419.89
mp-17298
13.604889
5.743837
-7.490692
other
Sr1Ti4P6O24
35
148
472.79
mp-2224784
6.876434
13.088811
-1.58152
other
Mg1Co2Ag2O6
11
148
124.18
mp-557109
11.954733
7.006361
-0.579767
other
Na8Zr4Ge6O24
42
148
605.22
mp-1275837
6.91157
12.979244
-1.748127
other
Ca1Co4Cu3O12
20
148
197.53
mp-2217908
7.250779
13.396716
-1.41433
other
Mg1Cd2Co2O6
11
148
122.39
mp-1295386
6.296275
10.114065
0.403818
other
La2Mg1Fe1O6
10
148
123.31
mp-2217830
10.262367
9.421555
0.146125
other
K2Mg1Sb2O6
11
148
178.42
mp-19502
11.653872
12.350669
1.943504
other
Ba1Ti18Mn3O38
60
148
674.28
mp-770839
8.505179
3.868766
-7.093122
other
Li4Cr4C8O24
40
148
382.26
mp-541424
10.117657
4.461406
-6.979266
other
Na6V2S6O24
38
148
499.48
mp-19143
11.334397
7.571861
-4.440142
other
Ba2Co4As4O16
26
148
359.26
mp-2217280
7.148498
12.332133
-1.27622
other
Mg1Tl2Co2O6
11
148
134.09
mp-2223323
8.463051
14.41354
-1.020282
other
Mg1Mn2Ag2O6
11
148
132.9
mp-12911
7.923874
10.231234
1.655618
other
Ba2La1Ru1O6
10
148
161.34
mp-766129
13.824421
8.4226
-0.98711
other
Li6V6Si6O24
42
148
537.57
mp-621825
8.478505
1.327504
1.608745
other
Y6Pb8O1F32
47
148
716.3
mp-1104201
8.011844
2.932407
-1.387351
other
Zn1Ge1O6F6
14
148
185.49
mp-504919
7.927972
1.517757
-4.243878
other
Cr2H18C6N12
38
148
398.44
mp-1104830
8.176445
3.074157
-1.486757
other
Ti1Ni1O6F6
14
148
195.38
mp-560308
14.383146
5.136295
-7.532041
other
Ba1Zr4P6O24
35
148
546.38
mp-2217318
12.473264
11.771804
0.854378
other
Mg1Ti2Co2O6
11
148
116.18
mp-1080812
10.007617
9.476967
0.972927
other
Tm1Sb1Pb2O6
10
148
144.34
mp-572674
5.655539
3.177202
-4.850664
other
Re3C6I6O6
21
148
583.47
mp-1217225
13.324544
6.452281
-7.495125
other
Ti4Co1P6O24
35
148
451.94
mp-585408
13.778071
6.763086
-6.200258
other
Li6Sn4P6O24
40
148
577.31
mp-2217293
11.59152
12.370893
-0.104457
other
Mg1Cr2Fe2O6
11
148
116.65
mp-26601
11.206439
8.011302
-7.804803
other
Li6Mn4P6O24
40
148
476.42
mp-1412249
9.955101
9.761244
3.296834
other
La2Mg1Ti1O6
10
148
124.45
mp-558721
6.405969
5.046935
-4.403287
other
K16Ni4N24O48
92
148
1,553.13
mp-831152
14.671302
8.4805
-6.674284
other
Li6V4P6O24
40
148
473.56
mp-757045
9.459512
12.176279
0.998194
other
Ti3Nb1Cu3O12
19
148
207.58
mp-1045778
11.824739
13.238079
-1.77847
other
Y1V4Cu3O12
20
148
203.65
mp-558835
11.158761
7.706569
-4.195809
other
Na4Ni4As4O16
28
148
389.29
mp-754122
11.995661
7.45826
-7.307388
other
Li2Ni2P2O8
14
148
159.38
mp-667345
13.376056
6.481314
-5.791367
other
Nb6Tl12P6O36
60
148
1,032.65
mp-1274811
11.876517
13.076349
-1.386317
other
Ca2Mn6V8O24
40
148
428.71
mp-1181748
8.980471
12.043367
-1.14169
other
Co6Ag9Sb3O18
36
151
487.34
mp-707138
12.173463
6.473534
-5.552598
other
Ag6P3H3O12
24
151
310.72
mp-1211817
12.536584
6.743726
-0.661513
other
K3Mg9Si12O36
60
151
782.33
mp-1204540
6.12674
5.295997
-4.505501
other
Ca3Cd3N12O36
54
154
914.02
mp-17322
-4.227974
-1.416097
-5.741529
other
Sr3Cu6Sn3S12
24
154
543.89
mp-18685
-4.151968
-1.44645
-5.662468
other
Sr3Cu6Ge3S12
24
154
506.57
mp-6040
12.951948
5.126532
-5.666156
other
Ba3B3P3O15
24
154
319.6
mp-1245497
-4.104207
-1.632361
-5.755094
other
Sr3Cu6Pb3S12
24
154
564.42
mp-555818
-4.164329
-1.485627
-5.864167
other
Cu6Si3Pb3S12
24
154
486.67
mp-560716
6.217949
5.023153
-4.634377
other
Cs6Cr3N15O45
69
154
1,155.29
mp-558022
12.953889
5.015739
-5.847436
other
Sr3B3P3O15
24
154
287.24
mp-17756
-3.556098
-1.400873
-5.529803
other
Rb3Ag6Sb3S12
24
154
644.97
mp-9784
12.81412
5.672119
-5.209956
other
Ba3B3As3O15
24
152
345.23
mp-762264
12.594214
7.346537
-1.638702
other
Li12Co6Si6O24
48
152
507.08
mp-1212174
12.872578
5.59185
-3.058216
other
Ho3Fe9B12O36
60
152
608.78
mp-17947
-3.977147
-1.478601
-5.629472
other
Ba3Cu6Ge3S12
24
152
530.88
mp-752766
13.68865
8.258432
-0.762101
other
Li6Cr3Si3O12
24
152
264.02
mp-679927
6.223763
4.903307
-4.598995
other
Rb6Sc3N15O45
69
152
972.78
mp-1189095
7.818874
5.477329
-4.416945
other
Ag3P3N6O6
18
152
353.54
mp-758715
11.860896
7.328685
-2.077753
other
Li6Cu3Si3O12
24
152
251.42
mp-1207649
12.821179
5.645793
-3.046565
other
Y3Fe9B12O36
60
152
613.23
mp-1199032
9.09479
7.516825
-5.218488
other
Ni6B6P6O36
54
152
612.46
mp-1214469
6.136324
5.295425
-4.507691
other
Ca3Cd3N12O36
54
152
898.22
mp-14718
9.650619
1.029971
1.349151
other
Na12Mn6Cr6F42
66
152
913.18
mp-6667
12.825957
5.141906
-4.72041
other
Ca3B3P3O15
24
152
264.37
mp-561011
8.7657
1.868447
0.599561
other
Li6Ta6O9F18
39
152
592.84
mp-21762
9.244486
1.080882
1.197112
other
Na12Mn6Ga6F42
66
152
902.45
mp-16988
-4.227105
-1.416333
-5.741343
other
Sr3Cu6Sn3S12
24
152
543.88
mp-572149
6.260157
4.974932
-4.621164
other
Cs6Al3N15O45
69
152
1,124.83
mp-15840
12.952022
5.126603
-5.666004
other
Ba3B3P3O15
24
152
319.61