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-1226198
-5.705473
-1.509037
-3.354384
other
Co8Cu6Ni4Se24
42
12
772.08
mp-1177346
8.408916
14.980303
-0.847324
other
Li4Mn5Cu1O12
22
12
235.11
mp-753582
6.131341
13.035742
-1.496737
other
Li3Fe2Ni2O8
15
12
136.41
mp-761633
5.528259
19.863529
-1.095948
other
Li6Mn2Co4O12
24
12
221.82
mp-1192089
9.562561
2.242856
0.855229
other
K4V4O4F12
24
12
380.33
mp-1305888
10.538454
13.722152
-0.897166
other
Li4V2Ni2O8
16
12
146.22
mp-757966
13.920708
7.093807
-6.196929
other
Li6Sn4P6O24
40
12
478.02
mp-1078159
11.114288
7.815974
2.852323
other
Ce2Fe1Se2O2
7
12
136.6
mp-2217128
12.128208
12.527656
-2.006467
other
Mg1V2Co1O6
10
12
117.35
mp-2219905
8.686638
6.825413
-3.679456
other
Mg1Cu2Se2O8
13
12
173.88
mp-1213371
8.439706
8.066886
-4.286251
other
Cu2As2Pb1O10
15
12
203.71
mp-867959
12.899648
12.101649
0.512656
other
Li3Ti2V1O6
12
12
112.06
mp-756960
10.517816
13.616978
-0.700514
other
Li3V1Fe2O6
12
12
113.9
mp-1104505
7.807745
10.470515
-3.719275
other
K1Mn2Cr2O10
15
12
221.33
mp-1103874
-5.050333
0.09999
-4.745681
other
Mn1Tl1V4S8
14
12
237.07
mp-649950
5.103736
3.131469
-4.314569
other
Ru2C6Br4O6
18
12
374.58
mp-561519
8.801499
7.061213
-3.821133
other
Na2Fe2Se4O16
24
12
339.22
mp-771220
8.191956
14.064212
-0.766587
other
Li3Ti1Co2O6
12
12
110.71
mp-754956
9.144043
12.579411
-0.536615
other
Li3Ni4Sb1O8
16
12
153.06
mp-1194537
3.002241
3.144459
-4.039681
other
Ir2Au2N10Cl12
26
12
673.62
mp-2232710
11.321259
13.261516
-2.914205
other
Na1Mg1V4O10
16
12
209.85
mp-672295
-4.172839
-1.727858
-5.411621
other
Cu8Bi10Pb2S22
42
12
951.44
mp-2227769
9.554222
13.925581
-0.143296
other
Mg1Mn4Zn2O8
15
12
172.02
mp-1103801
13.461985
5.609211
-6.195995
other
Ba2U1P2O10
15
12
248.23
mp-1095485
13.024327
5.669966
-6.974185
other
Ba1Ge1P2O8
12
12
164.14
mp-754324
12.5517
13.066968
-0.414347
other
Li4V3Cr1O8
16
12
149.92
mp-2226514
6.530837
12.873333
-1.5443
other
Mg1Co1Ni4O8
14
12
139.48
mp-1100744
3.86422
23.100555
-1.340263
other
Li9Mn2Co5O16
32
12
287.88
mp-1176297
3.662112
23.293686
-1.45868
other
Li9Mn2Co5O16
32
12
283.72
mp-756915
12.163452
12.430611
0.141598
other
Li3V1Cr4O8
16
12
156.21
mp-915377
8.302785
10.523829
1.400472
other
Ba12Pr3Ru9O36
60
12
937.18
mp-762710
8.769467
14.040766
-1.083764
other
Li3V1Fe3O8
15
12
143.58
mp-1225901
8.868033
11.569993
-0.35019
other
Eu2Mn3Sb3O14
22
12
275.6
mp-607477
-5.942872
-3.493627
-1.816096
other
Cs1Sc3Cu2Te6
12
12
356.27
mp-1223413
7.369649
11.051844
1.493275
other
La10Fe8Ni2O30
50
12
619.81
mp-771079
6.980024
14.169436
-1.709463
other
Li4Cr1Co5O12
22
12
209.03
mp-19483
11.280222
7.859738
-1.350861
other
Tm2Fe2Ge4O14
22
12
280.02
mp-1226307
9.753935
12.487873
-1.464736
other
Cr1Co4Sb1O8
14
12
161.03
mp-1212080
10.696926
10.334152
3.001729
other
Ho2Ti2Cl2O6
12
12
181.89
mp-22091
8.58762
1.327468
0.996811
other
Na1Zr2Co1F11
15
12
224.08
mp-1199482
-4.63802
-3.064672
-3.561373
other
K8Gd8Sb8Se36
60
12
1,747.89
mp-1095215
8.582695
3.735275
-7.119946
other
K2Mg1C2O6
11
12
139.01
mp-759482
13.297405
12.619775
-0.538004
other
Li8V4O8F4
24
12
217.26
mp-2218738
6.338665
10.290848
-1.619468
other
Mg1Co2Bi2O8
13
12
185.08
mp-762163
9.659061
14.523114
0.296102
other
Li3Ti1Mn2O6
12
12
118.52
mp-1302177
6.057663
11.337719
0.575656
other
Ba2La4Co6O18
30
12
361.15
mp-1104573
7.917133
7.549272
-3.989908
other
Rb1Cu2Se2O10
15
12
236.45
mp-1218860
6.901771
10.083092
-0.343881
other
Sr6Tl3Cu3O16
28
12
398.88
mp-2646918
1.514195
2.673311
-5.908441
other
Cs8Cu2Sb4Cl24
38
12
1,251.2
mp-1213773
9.761918
4.971584
-6.829423
other
Cr1Ag1S2O8
12
12
156.15
mp-759288
9.494102
1.705335
-3.962396
other
Ga2H10N4F4
20
12
164.77
mp-1236921
5.858763
5.615602
-3.940731
other
Ca2Zn4Br12O12
30
12
814.73
mp-1177635
10.500555
12.875987
-0.182622
other
Li3Mn2Sb1O6
12
12
129.5
mp-1234077
11.634587
9.556557
1.628208
other
Y5Mg1Mo2O12
20
12
263.68
mp-1174075
4.268915
22.775999
-1.143405
other
Li6Mn2Co2O10
20
12
177.61
mp-1228761
7.302274
10.540358
0.654454
other
Ba12Li3Ir9O36
60
12
856.5
mp-1173992
3.508536
22.281847
-1.503172
other
Li5Mn1Co2O8
16
12
141.39
mp-1177851
10.432731
13.931642
-0.592911
other
Li4Ti2Cr6O16
28
12
302.05
mp-773925
12.080565
13.361469
-0.673027
other
Li4V3Ni1O8
16
12
149.73
mp-2222931
12.093856
10.363216
2.232634
other
Ce1Mg1Ti2O6
10
12
138.38
mp-1227976
0.471268
1.478652
-0.602448
other
Ba6Br2N3Cl1
12
12
358.89
mp-2217607
6.555832
10.939898
0.611594
other
Ba2Mg1Co2O6
11
12
162.08
mp-554121
8.985172
1.764814
1.408165
other
Na1Hf2V1F11
15
12
223.2
mp-1078630
-3.479636
-1.787369
-5.315818
other
Ba2Th1Cu2S5
10
12
242.07
mp-756623
12.082689
12.53758
0.674375
other
Li6Ti4Mn2O12
24
12
235.36
mp-1218902
6.216244
10.853534
0.331208
other
Sr12Zn2Co6O25
45
12
618.64
mp-556386
11.032861
11.101395
-1.541921
other
K2Na6W2O10
20
12
309.89
mp-1308550
7.950877
14.099302
-1.479891
other
Li2Cr2Co2O8
14
12
145.15
mp-569109
-4.514653
-2.416647
-3.840153
original
Mn2Bi2Se4I2
10
12
284.05
mp-13508
-7.568326
-4.017259
5.365633
other
Er4In1Ni2Ge4
11
12
215.51
mp-759337
6.405722
13.612533
-1.552485
other
Li2Fe2Co1O6
11
12
107
mp-1103616
4.166044
3.093387
-3.598495
other
Cu1C2S2N6
11
12
218.68
mp-1203529
9.331924
7.612756
-5.464892
other
K4Zn1P6O22
33
12
563.15
mp-559864
-3.563423
-1.216672
-5.334577
other
In2Sb4S8Br2
16
12
413.61
mp-541464
11.600729
7.082142
-1.691226
other
La4Mn5Si4O22
35
12
432.98
mp-1177801
10.680901
14.040961
-0.961663
other
Li4V2Cr6O16
28
12
300.53
mp-1174043
6.778269
16.855785
-1.164023
other
Li4Mn1Co3O8
16
12
142.4
mp-1177385
9.926332
14.259616
0.193095
other
Li4Mn3Nb1O8
16
12
163.55
mp-1224023
10.240598
4.31916
-6.58471
other
K3H1S2O8
14
12
208.64
mp-2232260
10.139179
12.674131
-0.569656
other
Mg1Fe5Cu1O8
15
12
166.36
mp-2224773
-3.191576
-1.277294
-5.400865
other
Ba2Mg1Ti2S6
11
12
264.04
mp-1210264
7.941676
7.60956
-4.022577
other
Na1Cu2Se2O10
15
12
206.94
mp-1220755
-7.487107
0.76203
4.916008
other
Nd2Ga3Fe14C2
21
12
274.39
mp-861240
11.472032
10.351519
0.033564
other
Li12Al8Cr4O24
48
12
414.4
mp-757635
11.452093
7.677703
-7.631609
other
Li8Mn2P4O18
32
12
338.28
mp-541275
1.692433
2.815256
-5.771468
other
Cs2U1Cl4O2
9
12
282.2
mp-1025289
-5.674343
-1.665323
5.52745
other
Ce2Fe2Si2C1
7
12
112.79
mp-1100741
3.969083
22.961439
-1.328781
other
Li9Mn2Co5O16
32
12
286.37
mp-755675
10.944097
13.429176
-0.030292
other
Li4Al1Cr3O8
16
12
144.29
mp-1095626
-3.99064
-3.553479
1.418222
other
La4P4Au2O2
12
12
255.34
mp-1176665
7.819064
14.540706
-1.472659
other
Li1Mn2Co1O6
10
12
107.48
mp-2217264
7.467296
9.889828
-0.368102
other
Na2Mg1Cu2O4
9
12
120.19
mp-1174267
7.32103
18.54933
-0.386142
other
Li4Mn3Co1O8
16
12
150.35
mp-554519
10.782969
7.929304
2.808832
other
Gd4Ti1Se4O4
13
12
260.58
mp-690672
1.371828
2.376219
-5.672289
other
K3Na1Fe1Cl6
11
12
382.68
mp-753463
14.172348
12.214132
-0.461281
other
Li2V4O4F6
16
12
200.42
mp-1234606
9.451502
12.793199
-0.674989
other
Mg1Fe7Ni6O16
30
12
313.85
mp-758985
-2.639701
-0.422598
-5.223833
other
Rb4Ti4P4S20
32
12
897.99
mp-6660
13.159909
4.751624
-1.548813
other
Ba2Na2B2O6
12
12
169.07
mp-775954
8.278499
14.602824
-1.043042
other
Li10Mn14Fe6O40
70
12
688.37