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-2229818
12.500687
6.906726
-3.464586
other
Mg1Fe4H4O8
17
6
161.18
mp-769566
7.271597
14.420044
-1.217123
other
Li10Fe4Co6O20
40
6
340.53
mp-1223299
10.651372
8.28904
-7.57645
other
Mn8Fe4P12O48
72
6
861.59
mp-756003
10.333302
7.959813
-6.477885
other
Li7Mn1P4O16
28
6
289.69
mp-1220887
-5.233741
-3.634764
5.947247
other
Nd10Si20Ni2Ru6
38
6
723.33
mp-1229236
7.301754
8.585749
-1.567126
other
Ba2Ca4Yb20O36
62
6
911.48
mp-755553
9.084677
8.05753
-5.768429
other
Fe1Ni3P4O16
24
6
279.56
mp-2217269
9.515594
8.849946
0.314021
other
Na3Mg1Bi1O4
9
6
149.73
mp-1224573
7.936891
11.315381
1.471058
other
Gd1Y3Fe4O12
20
6
234.43
mp-1222927
8.447082
13.894698
-0.813494
other
La1Mn8Bi3O20
32
6
390.41
mp-1225123
10.442708
8.086967
-6.933365
other
Fe6Bi1P6O26
39
6
500.78
mp-1177555
8.058402
14.347761
-1.169629
other
Li8Mn10Fe8O36
62
6
657.42
mp-1045028
12.811738
10.397499
-0.219236
other
W6Se4Cl2O16
28
6
580.63
mp-2229209
9.759233
13.172988
0.238768
other
Na4Mg1Mn4O8
17
6
224.94
mp-2219913
9.362774
12.797847
-1.891115
other
Mg1Cr2Fe2O8
13
6
146.27
mp-2230903
12.622655
-0.928727
1.035315
other
Mg1Mn6O6F6
19
6
234.15
mp-774666
12.14887
8.359349
-7.541996
other
Cr3Co1P4O16
24
6
273.09
mp-849414
14.815132
5.392525
-2.551294
other
Li10Mn12B12O36
70
6
754.62
mp-752956
10.28017
1.997303
2.214989
other
Li3Fe3O1F7
14
6
166.02
mp-1224731
8.490416
2.045465
2.473447
other
Gd12S6O4F16
38
6
586.67
mp-2225339
10.402407
2.492735
1.831708
other
Mg1Fe2O2F2
7
6
97.38
mp-1223280
6.117937
11.341712
-0.069546
other
La1Eu3Ni4O12
20
6
227.19
mp-1100478
3.479462
23.235527
-1.499006
other
Li9Mn2Co5O16
32
6
290.89
mp-1234078
13.251502
0.757986
1.739429
other
Mg1Fe10O9F11
31
6
369.35
mp-1233241
10.080816
8.708802
1.214383
other
Ca1Y4Bi4O12
21
6
348.31
mp-1233035
11.155807
8.541086
2.475211
other
Sm4Tm4Mg1O12
21
6
284
mp-1235973
6.97257
9.595691
-0.836314
other
Li1Y4Ag4O12
21
6
296.09
mp-1221995
-6.330144
-0.690095
1.958647
other
Mn12Fe4Co8P12
36
6
408.94
mp-774667
10.394201
8.260362
-7.071778
other
Fe3Co1P4O16
24
6
284.53
mp-1222104
-7.03677
-1.03094
3.404341
other
Mn4Co4Si3Ge1
12
6
146.94
mp-1175108
3.956625
23.225775
-1.237029
other
Li7Mn2Co3O12
24
6
216.26
mp-2217207
11.223709
11.087547
0.446456
other
Na2Mg1Mn2O4
9
6
112.15
mp-849540
14.255734
5.334141
-2.717299
other
Li4Mn6B6O18
34
6
376.94
mp-1176867
6.034112
13.340774
-1.500657
other
Li16Co2Ni18O40
76
6
690.59
mp-2218489
12.680689
1.315197
2.073016
other
Mg1Fe4O4F4
13
6
153.35
mp-1234586
13.517137
7.437475
-4.982498
other
Mg1As4P4O16
25
6
377.88
mp-1246915
-5.38275
0.08432
-5.62594
other
Nb1Cr3Ag2S8
14
6
254.33
mp-1100601
3.925839
22.947563
-1.342426
other
Li9Mn2Co5O16
32
6
289.64
mp-2220554
13.401246
0.569081
1.51951
other
Mg1Fe8O8F8
25
6
295.65
mp-1203941
8.438188
10.325714
1.407054
other
La8Cu6Mo2O24
40
6
606.82
mp-2222799
6.354766
5.918888
-3.87077
other
Mg1Ag2Br2O4
9
6
171.2
mp-754862
14.584862
8.800728
-5.48282
other
V3Sb1P4O16
24
6
313.65
mp-1223206
7.903534
13.271424
0.163152
other
La3Mn8Bi1O20
32
6
397.01
mp-1224727
-8.711804
1.549072
-3.265209
other
K1In1Te6Mo6
14
6
388.64
mp-755112
13.267609
7.593929
-7.860202
other
Li5Mn3P4O16
28
6
302.85
mp-1100589
3.548102
23.647152
-1.408568
other
Li9Mn2Co5O16
32
6
290.79
mp-1225684
-4.317745
1.354188
3.146242
other
Er4Ta1V7B24
36
6
333.32
mp-1247708
6.732639
12.256947
1.172668
other
Ca32Ti4Mn28O96
160
6
1,758.6
mp-753178
8.46584
3.925478
-7.22579
other
Li1Fe2C3O9
15
6
168.94
mp-1235512
10.732368
9.208039
3.519156
other
Li1Er4Zr4O14
23
6
293.12
mp-2230866
6.403364
13.234887
-2.428032
other
Mg1Co6O10F2
19
6
198.31
mp-1233252
11.951239
10.847148
0.635884
other
Mg1Cd4Tc4O12
21
6
251.92
mp-1174411
5.18148
21.359795
-0.849329
other
Li5Mn2Co1O8
16
6
142.84
mp-1233132
10.15718
8.710817
1.209181
other
Y4Mg1Bi4O12
21
6
334.3
mp-1223135
10.181346
10.966782
2.047902
other
La3Nd1Cr4O12
20
6
244.64
mp-759196
6.344226
13.880388
-1.73951
other
Li6Fe4Co6O20
36
6
352.18
mp-1227162
6.76606
12.049818
0.618172
other
Ca1Yb3Mn4O12
20
6
211.93
mp-774257
9.872172
8.006145
-6.378654
other
Ni3Sn1P4O16
24
6
283.92
mp-1175320
5.789146
21.091564
-0.562832
other
Li7Mn4Co1O12
24
6
218.1
mp-1177113
11.797852
11.263993
-2.121911
other
Li5Mg11W12O48
76
6
1,003.55
mp-849609
14.252713
5.329096
-2.717407
other
Li8Mn12B12O36
68
6
755.35
mp-1227635
8.544419
11.533139
-0.758535
other
Ce4Bi8Rh24O60
96
6
1,141.21
mp-2220817
13.269985
0.673373
1.467182
other
Mg1Fe8O8F8
25
6
306.58
mp-757114
9.013626
12.861296
-0.534181
other
Ca3Fe5Sn3O16
27
6
324.62
mp-2218403
12.779694
1.246484
1.988005
other
Mg1Fe4O4F4
13
6
153.49
mp-1100588
3.815868
23.230791
-1.343606
other
Li9Mn2Co5O16
32
6
289.26
mp-1175147
3.844589
23.524662
-1.262249
other
Li7Mn2Co3O12
24
6
214.8
mp-756477
9.507729
10.407875
-2.114866
original
Li2Te2H2O8
14
6
153.62
mp-1234206
7.183241
8.960121
-0.53291
other
Ba4Mg1Tl8O16
29
6
498.17
mp-1219843
-3.326605
0.495025
2.741535
other
Pu1U3W4C6
14
6
196.22
mp-1236653
11.486943
12.280825
0.070237
other
Li1Cr4In4O12
21
6
232.81
mp-1100600
3.93636
22.977922
-1.328769
other
Li9Mn2Co5O16
32
6
288.39
mp-1219968
-7.740729
-4.914826
5.882915
other
Pr6Al6Cu3Ni3
18
6
367.36
mp-1175124
3.158636
23.638729
-1.519108
other
Li7Mn2Co3O12
24
6
217.54
mp-1228618
7.318149
11.931222
0.758434
other
Ba3Mn4Pt1O12
20
6
316.87
mp-1219884
8.376157
2.091053
2.486263
other
Pr12S6O4F16
38
6
645.04
mp-1175107
3.805432
23.362423
-1.271809
other
Li7Mn2Co3O12
24
6
217.82
mp-2225952
11.716776
11.274913
0.180851
other
Mg1Cr1Sb1O4
7
6
100.43
mp-2230009
13.26013
0.869892
1.766771
other
Mg1Fe6O6F6
19
6
228.49
mp-2239948
11.42411
11.840296
0.033887
other
Mg1Cr1Ga1O4
7
6
78.45
mp-1222962
7.856452
11.849751
2.162293
other
La1Nd3Mn4O12
20
6
250.4
mp-1239221
-5.355229
0.001614
-5.632327
other
Ta1Cr3Ag2S8
14
6
264.24
mp-1220190
9.232989
7.462716
-1.820407
other
Pb12Br7Cl1O8
28
6
753.3
mp-1100579
3.81444
23.201914
-1.343
other
Li9Mn2Co5O16
32
6
291.63
mp-756786
10.668128
8.289866
-7.650737
other
Mn3Fe1P4O16
24
6
291.53
mp-1233046
7.027774
9.439984
-0.539809
other
Y4Mg1Ag4O12
21
6
292.39
mp-1223940
-7.578494
-6.396573
5.720406
other
Ho9Er3Mn2Bi4
18
6
503.46
mp-2230795
8.567703
14.912918
-1.276036
other
Mg1Mn6O11F1
19
6
213.32
mp-2219332
-4.598094
-1.603439
-4.91183
other
Mg1Cu4As4S4
13
6
252.8
mp-1226148
7.267524
11.96772
1.525416
other
Eu3Y1Mn4O12
20
6
235.8
mp-1226777
-4.83135
-2.671319
-4.070331
other
Cd1Ag2Sn1Se4
8
6
234.93
mp-1233792
13.692845
9.755181
-0.443762
other
Mg1V12B4O20
37
6
399.95
mp-1238879
-5.143879
-0.151853
-5.539764
other
Ti4Cr4Cu4S16
28
6
473.89
mp-758020
8.386471
3.869414
-6.996888
other
Li2Cu6C6O18
32
6
350.34
mp-1100560
3.653779
23.340034
-1.409489
other
Li9Mn2Co5O16
32
6
292.19
mp-1100584
3.55961
23.557018
-1.411076
other
Li9Mn2Co5O16
32
6
292.53
mp-2220211
13.43899
0.539609
1.350523
other
Mg1Fe12O12F12
37
6
441.13
mp-2230137
13.287744
0.826249
1.720199
other
Mg1Fe6O6F6
19
6
228.38
mp-1227724
7.120639
12.39989
0.853908
other
Ca3Mn4Bi1O12
20
6
227.64
mp-2225588
-6.585097
-2.560947
-0.211945
other
Mg1Co2Sb2S2
7
6
126.31