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-1181556
2.729559
3.180669
-3.970732
other
Cu2N4Cl8O4
18
1
441.28
mp-2229252
9.802217
10.27429
-1.023146
other
Mg1Fe1Sb4O12
18
1
218.87
mp-2220252
10.766598
12.843645
0.290274
other
Mg1Ti8Ni8O24
41
1
425.59
mp-1175846
3.893438
23.057766
-1.32224
other
Li9Mn2Co5O16
32
1
288.32
mp-1147741
-2.417147
-0.498613
-5.606141
other
Li32Zn8P16S64
120
1
2,525.09
mp-1247619
6.747211
12.042736
1.210695
other
Ca32Mn24Al8O92
156
1
1,737.9
mp-759426
14.25345
7.425729
-6.331174
other
Li4V1P6O18
29
1
344.1
mp-1047193
9.632941
11.714476
-1.629919
other
Mg2Ag1W1O6
10
1
119.51
mp-1176520
7.554446
13.540641
-2.165832
other
Mn2Cr3Co3O16
24
1
256.65
mp-775928
15.094568
8.540773
-5.337522
other
Li8V4P4O20
36
1
373.27
mp-1174208
3.813724
23.363577
-1.225164
other
Li6Mn2Co2O10
20
1
180.68
mp-2230088
10.730265
14.225867
-1.050314
other
Mg1Mn6O8F4
19
1
218.68
mp-2228785
13.257036
0.814483
1.789544
other
Mg1Fe6O6F6
19
1
223.48
mp-1176095
3.516413
23.246923
-1.447465
other
Li9Mn2Co5O16
32
1
293.55
mp-861290
7.424163
4.881541
-1.707015
other
Li4Fe2Si6O16
28
1
373.62
mp-1264059
12.848577
8.618882
-1.776499
other
Mg4V4Si4O20
32
1
340.59
mp-1235344
9.473901
0.717313
-0.465295
other
Li1Cu6O1F11
19
1
225.39
mp-1175226
6.703347
19.739779
-0.4136
other
Li7Mn4Co1O12
24
1
216.26
mp-1176160
3.668837
23.36953
-1.394051
other
Li9Mn2Co5O16
32
1
289.7
mp-776824
10.719767
3.020757
1.854267
other
Li8V16O8F40
72
1
874.69
mp-1357695
7.645663
5.182794
-1.578236
other
Ca10Nb5In1O24
40
1
527.69
mp-766399
10.633918
8.177108
-7.042973
other
Li3Cr4P6O24
37
1
441.55
mp-2219718
11.974242
12.328434
-2.724846
other
Mg1V3Co1O8
13
1
208.02
mp-2230719
10.655019
14.185822
-1.057826
other
Mg1Mn6O8F4
19
1
222.62
mp-1101509
12.036883
8.726418
-6.343671
other
Li1Mo1P2O8
12
1
185.98
mp-2231443
11.03809
9.869135
-1.031448
other
Mg1Bi4W2O12
19
1
287.22
mp-2218333
1.663307
2.911503
-4.60165
other
Mg1W2S2Cl8
13
1
420.53
mp-2228400
8.790985
15.021888
-1.119254
other
Mg1Mn6O10F2
19
1
210.86
mp-1233552
6.266225
5.142974
-4.493465
other
Mg1Hg8N4O16
29
1
533.02
mp-777691
8.160698
13.844421
-0.952883
other
Li32Mn3Cr13O48
96
1
845.31
mp-799530
8.754232
3.84725
-0.508891
other
Li3Mn5O1F11
20
1
246.87
mp-760281
14.809513
5.768822
-2.59784
other
Li4Fe8B8O24
44
1
484.97
mp-2220413
13.47499
0.519599
1.359017
other
Mg1Fe12O12F12
37
1
434.97
mp-1234801
11.131549
8.309343
-4.918393
other
Mg1V6H6O18
31
1
381.38
mp-2218769
12.677297
1.196398
2.047477
other
Mg1Fe4O4F4
13
1
162.19
mp-764643
15.231979
5.897241
-2.403341
other
Li5Fe8B8O24
45
1
488.37
mp-1445093
11.591676
11.006686
0.435395
other
Ca2Cr1W1O6
10
1
120.74
mp-1235315
12.357306
-0.974764
0.980353
other
Li1Mn6O5F7
19
1
225.07
mp-759322
10.711835
11.851694
2.621815
other
Li6Nb12Zn3O36
57
1
679.33
mp-1224624
-3.503303
-1.215341
-5.365343
other
K36Ta8V4S48
96
1
2,884.6
mp-1227778
11.06562
8.013461
1.073894
other
La6Nb1Ga11O28
46
1
624
mp-779588
14.129775
7.319161
-5.242127
other
Li4Cu8P4O16
32
1
357.15
mp-1101521
11.574102
7.81196
-7.704298
other
Li2Fe2P4O14
22
1
305.39
mp-1377469
9.745157
3.184751
1.485296
other
Li1Fe7O3F9
20
1
242.6
mp-2219388
9.69245
11.343935
-1.122352
other
Lu2Mg1Cr2O8
13
1
165.64
mp-2231182
6.785423
12.885706
-2.43614
other
Mg1Co6O8F4
19
1
214.55
mp-1216514
14.3136
8.589422
-6.410439
other
V4Cd3P6O24
37
1
471.09
mp-777531
11.077088
13.031157
0.98821
other
Ti3Nb2Cr3O16
24
1
289.7
mp-756912
13.828632
4.818686
-2.462605
other
Li4Zn4B4O12
24
1
255.54
mp-1174704
3.637008
23.554863
-1.348138
other
Li8Mn2Co4O14
28
1
252.14
mp-758047
9.388935
8.069564
-6.120018
other
Mn7Co1P12O48
68
1
838.06
mp-1011834
12.952017
7.063097
-7.009861
other
Na8Co4P8O28
48
1
598.69
mp-1220940
11.176966
4.816346
-4.086789
other
Rb12Nb12H28O54
106
1
1,544.13
mp-2219460
12.828636
10.928364
-0.192851
other
Y1Mg1Mo3O8
13
1
177.08
mp-1174956
4.060494
23.096771
-1.215255
other
Li7Mn2Co3O12
24
1
214.81
mp-1399494
7.457618
4.553661
-1.429127
other
Li1Mn3O5F1
10
1
103.81
mp-1176002
3.726243
23.363928
-1.364542
other
Li9Mn2Co5O16
32
1
287.17
mp-1222914
10.842023
3.640735
-4.150176
other
Li1B1H16O10
28
1
228.49
mp-780620
12.957035
6.591547
-1.043396
other
Li2Cr2Si8O20
32
1
419.49
mp-2234205
11.304927
9.396275
-7.372159
other
Mg1V8P12O48
69
1
875.42
mp-1175078
3.646813
23.621643
-1.362425
other
Li7Mn2Co3O12
24
1
212.72
mp-1223939
-6.224868
1.567039
-4.644848
other
In1Mo6Se4S4
15
1
307.78
mp-1232975
6.703077
12.109735
-1.324486
other
Li1Tl4Ni4O12
21
1
238.24
mp-2231296
12.844399
-0.662009
0.540986
other
Mg1Mn6O7F5
19
1
228.2
mp-1178075
14.639454
7.464377
-6.471674
other
Li13Mn6P8O32
59
1
648.76
mp-2229102
9.682034
13.183623
0.209752
other
Na4Mg1Mn4O8
17
1
225.19
mp-1175998
3.941333
22.958185
-1.316586
other
Li9Mn2Co5O16
32
1
287.89
mp-760968
10.798924
8.909634
-7.393179
other
Li6V6P16O58
86
1
1,173.88
mp-2228796
8.798079
14.941738
-1.206918
other
Mg1Mn6O10F2
19
1
227.94
mp-765412
11.37024
8.948972
-7.736531
other
Li8V6P16O58
88
1
1,176.75
mp-1340817
7.694283
5.145773
-1.80799
other
Li4Mn3Cr2O10
19
1
186.38
mp-1226418
-3.713145
-1.286823
-5.556322
other
Cs4Ga3Fe1S8
16
1
520.91
mp-1234604
11.030403
8.546755
2.513166
other
Sm4Tm4Mg1O12
21
1
306.7
mp-1233507
11.700745
-0.002712
1.556658
other
Mg1Mn6O4F8
19
1
246.01
mp-1224202
-6.020582
-3.151952
-2.401429
original
In2Cu1Te3Cl1
7
1
236.43
mp-760123
10.794724
8.90608
-7.394099
other
Li6V6P16O58
86
1
1,185.23
mp-2216973
7.26182
11.946677
1.782487
other
Sr8Mg1Mn6O20
35
1
488.21
mp-758567
11.301864
7.529122
-2.483773
original
Li3Co2Si2O8
15
1
170.13
mp-863356
12.115961
6.972903
-1.866311
other
Li5Fe5Si7O24
41
1
582.53
mp-773627
6.401222
12.287316
-1.418106
other
Li8Fe12Bi4O32
56
1
662.05
mp-764587
14.783915
5.774168
-2.601396
other
Li4Fe8B8O24
44
1
483.02
mp-777404
14.978991
5.439015
-2.478537
other
Li7Mn8B8O24
47
1
500.22
mp-764552
14.76213
5.744197
-2.608812
other
Li4Fe8B8O24
44
1
489.66
mp-1210895
7.199359
8.998109
-1.931415
other
Mg5Fe6S6O10
27
1
511.8
mp-1235198
12.452312
9.283135
-2.161055
other
Li1V4Ge4O16
25
1
242.78
mp-1046536
7.493356
10.463017
-1.33982
other
Ba2Tl2Cr3O10
17
1
282.11
mp-1177165
11.991333
8.86822
-7.907024
other
Li10V6P16O58
90
1
1,170.72
mp-772963
12.711184
8.695822
-7.94368
other
Li12V6P16O58
92
1
1,158.07
mp-765189
14.447968
12.610482
-0.67521
other
Li6V6O10F6
28
1
307.09
mp-773489
11.383557
8.935597
-7.757523
other
Li8V6P16O58
88
1
1,169.46
mp-1233911
10.216464
0.853231
0.304872
other
Ca1Co6O2F10
19
1
241.59
mp-757422
11.895571
7.279187
-1.928646
other
Li8Mn8Si16O48
80
1
858.02
mp-766793
7.308918
14.210084
-1.352517
other
Li5Co5Ni2O12
24
1
207.26
mp-1234922
8.775082
15.015483
-1.267296
other
Mg1Mn8O13F3
25
1
272.37
mp-1046312
10.183631
10.954278
2.791031
other
Ba2Ti3Tl2O10
17
1
262.73
mp-1233663
1.206755
2.169985
-4.227379
other
Mg1P4Br12O4
21
1
808.16
mp-760268
15.229097
5.916036
-2.41232
other
Li5Fe8B8O24
45
1
482.57
mp-777003
8.637274
7.954184
-4.720257
other
Fe7Te1P12O48
68
1
938.34
mp-1176031
3.937054
22.960892
-1.320221
other
Li9Mn2Co5O16
32
1
286.73
mp-759108
9.528966
7.864913
-5.855048
other
Li8Fe4P8O32
52
1
716.4