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-849507
10.173214
0.868806
-1.076351
other
Li4Co4O4F8
20
2
214.34
mp-1194535
10.215049
3.16535
-3.917265
other
Ca2H32I4O16
54
2
687.25
mp-753986
10.841608
11.076198
0.112923
other
Li12Mn2O4F8
26
2
310.99
mp-1174103
5.485385
19.360296
-1.252179
other
Li4Mn1Co3O8
16
2
148.06
mp-1020026
13.636769
4.452011
-2.386356
other
Li2Be2B2O6
12
2
105.36
mp-1232134
14.402805
8.51288
-6.43575
other
Mg3V4P6O24
37
2
424.1
mp-758511
13.838469
8.835942
-7.477964
other
Li4V4P6O24
38
2
462.31
mp-1211912
12.599541
5.718267
-6.109787
other
K8P8H8O24
48
2
767.98
mp-1204277
7.137239
6.614263
-4.018748
other
Ho2Te1Mo6O46
55
2
901.96
mp-758699
11.81479
13.598413
-1.19298
other
Li6V6Fe3O18
33
2
327.85
mp-1378924
7.123268
6.253317
-2.092901
other
Li9Mn2Co5O16
32
2
287.37
mp-759651
8.442259
1.078881
-4.317835
other
Sc4H24Br12N8
48
2
793.07
mp-754697
12.514706
7.725038
-7.416674
other
Li4Co4P4O16
28
2
335.61
mp-849514
13.405478
5.48771
-2.955994
other
Li2Mn6B6O18
32
2
369.94
mp-644295
12.092114
7.131209
-0.082596
other
Ca2Zr2Ge2O10
16
2
219.85
mp-1175191
6.389002
20.347322
-0.448866
other
Li14Mn8Co2O24
48
2
431.53
mp-821716
7.724353
5.117055
-1.739422
other
Li6Mo4P10O36
56
2
668.42
mp-1216833
11.036824
11.623598
2.00209
original
Ti2Nb2Sb2O12
18
2
231.21
mp-1295069
8.784034
13.589916
-0.816931
other
Li6Co8Sn2O16
32
2
316.16
mp-733386
7.701453
5.176908
-1.746734
other
Sr2U2Se4O16
24
2
412.8
mp-1103860
8.46198
7.978749
-4.217951
other
Ca2Co1As2O10
15
2
206.19
mp-775153
10.471323
1.819958
1.957196
other
Li6Fe2O2F6
16
2
151.43
mp-770856
9.687131
14.408767
-0.331866
other
Li16Mn8Cr8O32
64
2
602.92
mp-765567
12.847343
6.729892
-7.018097
other
Li8P10H2O30
50
2
540.18
mp-1217460
8.181367
2.24205
-1.077268
other
Te4Au1O4F20
29
2
491.95
mp-721988
13.063637
6.255082
-0.586448
other
Na2Al2Si6O16
26
2
329.88
mp-1105975
-3.312549
-1.36918
-5.444582
other
Rb2Sb6S10O2
20
2
578.34
mp-729639
7.737552
5.48878
-2.022255
other
Li2Ni5P4O16
27
2
295.66
mp-556902
10.2285
11.653471
1.02193
other
K2Li8Nb2O10
22
2
250.5
mp-881189
6.269713
13.691074
-1.659969
other
Li4Fe3Co3O12
22
2
209.7
mp-1174888
3.7041
23.513865
-1.318076
other
Li7Mn2Co3O12
24
2
215.98
mp-555988
8.033455
10.00518
-3.867518
other
Na8U2Cr6O28
44
2
671.37
mp-1046656
8.804675
8.195891
-3.342088
other
Zn2Co2Si2O10
16
2
176.33
mp-1235110
10.46651
0.61761
-0.058887
other
Li1Co6O2F10
19
2
217.59
mp-781664
8.548497
13.723448
-0.674772
other
Li3Ti2Co2O8
15
2
149.55
mp-1174324
3.731696
22.794487
-1.284921
other
Li5Mn2Co1O8
16
2
145.17
mp-772106
9.182777
12.716787
-0.941592
other
Li6Fe2Si2O10
20
2
171.62
mp-26563
11.488191
7.716176
-7.654377
other
Li2Fe2P4O14
22
2
259.39
mp-755916
13.702832
7.241538
-6.965956
other
Li2Mn2P6O18
28
2
330.78
mp-1203733
10.030001
4.878168
-5.676878
other
Zr2H10S6O28
46
2
592.98
mp-1255391
8.400221
8.176915
-3.176672
other
Zn2Fe2Si2O10
16
2
186.99
mp-1204630
9.147915
4.781049
-5.695796
other
Ba4Sn2S8O22
36
2
685.5
mp-505794
8.348067
1.033488
-4.242928
other
Sc4H24N8Cl12
48
2
707.98
mp-1227969
7.333783
11.631612
1.235458
other
Ca12Mn8Sb4O36
60
2
705.29
mp-768851
10.955381
13.411025
-0.021553
other
Li8Al2Cr6O16
32
2
287.26
mp-1174506
3.972163
23.160339
-1.23423
other
Li7Mn2Co3O12
24
2
214.68
mp-557676
10.982977
10.958823
-3.859445
other
Li2Ga2Mo4O16
24
2
330.88
mp-1229230
6.207964
5.079949
-4.517158
other
Ag8C2N6O18
34
2
452.9
mp-779065
7.619329
16.322668
-0.920261
other
Li4Mn4Co2O12
22
2
223.32
mp-1228299
6.824058
9.791506
0.632853
other
Ba6Bi4Ru2O18
30
2
486.63
mp-752472
8.959709
12.882863
-0.971698
other
Li6Fe2Si2O10
20
2
169.01
mp-753078
11.334449
8.041808
-7.993519
other
Li2Mn2P4O14
22
2
272.75
mp-753126
8.545307
13.579849
-0.881825
other
Li3Fe3Sn2O10
18
2
208.48
mp-1311864
9.935503
13.918856
-0.518366
other
Li8Cr6Ni2O16
32
2
292.51
mp-1175408
4.153784
22.581017
-1.297701
other
Li9Mn2Co5O16
32
2
285.02
mp-671957
8.347958
2.018909
-0.4263
other
Na1Zr2Cu1F11
15
2
223.48
mp-1301147
6.351359
16.694822
-1.528882
other
Li6Mn2Co6O16
30
2
288.6
mp-1182276
4.980948
4.354149
-4.18579
other
Co2N8Cl4O6
20
2
393.01
mp-1198750
10.567098
3.779878
-4.216205
other
Mg2H44S2O30
78
2
723.49
mp-1174090
5.591408
19.099899
-1.259661
other
Li4Mn1Co3O8
16
2
147.12
mp-1581389
12.142808
11.771791
-1.554859
other
Al2Cr2W4O16
24
2
259.53
mp-1182712
8.563605
5.222015
-4.047249
other
Ca2H16Br4O24
46
2
556.69
mp-802792
7.675771
5.08083
-1.669202
other
Li8V2Cr6O16
32
2
298.32
mp-1382564
7.606066
5.165638
-1.864232
other
Na2Cu5Si4O14
25
2
309.03
mp-1020657
13.14036
5.935417
-6.611523
other
Na2Sr2P6O18
28
2
383.25
mp-1378836
12.37491
7.162527
-6.792495
other
Zn2Cu2P4O14
22
2
253.16
mp-1213712
-3.578836
-1.453768
-5.736091
other
Cs2Hg3Ge2S8
15
2
463.84
mp-755679
8.612677
14.136947
-0.92617
other
Li4Cr3Fe3O12
22
2
225.14
mp-772620
10.954331
7.799387
-7.340319
other
Li8Ni4P6O24
42
2
473.92
mp-1252502
11.516846
11.737551
-2.121641
other
Al2Co2W4O16
24
2
262.77
mp-759648
10.300882
12.797667
-0.228254
other
Li14V2O10F2
28
2
270.05
mp-1221175
11.050538
11.186135
3.151501
other
Na8Sr2Ta10O30
50
2
631.01
mp-728126
10.511243
5.793947
-4.295668
other
Mo8H16N4O26
54
2
624.29
mp-1228380
6.65614
8.427208
-0.335982
other
Ba4Pr3Bi1O12
20
2
364.98
mp-560247
12.825727
6.354885
-0.677278
other
Li4Ca4Si10O26
44
2
554.56
mp-558875
10.445936
9.405998
-1.893947
other
Ho4Te8Cl4O20
36
2
618.77
mp-697800
11.195601
7.872053
-7.547319
other
Li2Fe8P14O48
72
2
904.65
mp-780659
14.615951
5.224165
-2.643071
other
Li6Mn8B8O24
46
2
504.85
mp-1178904
8.121906
7.498606
-4.796348
other
V4Cu2P4O30
40
2
578.46
mp-2219486
6.802726
13.747845
-1.94522
other
Mg1Mn1Co3O8
13
2
138.71
mp-1180483
9.113415
7.71639
-5.736034
other
Mn1Ag4P6O24
35
2
487.18
mp-541026
12.76521
6.76617
-0.52918
other
Ca4Mg12Si12O40
68
2
747.64
mp-757273
12.65096
6.916542
-1.428385
other
Li4Si12Ni6O32
54
2
612.87
mp-1175481
3.957313
22.913366
-1.316965
other
Li9Mn2Co5O16
32
2
286.66
mp-540431
14.706019
8.039058
-5.112738
other
Li2Fe5P4O16
27
2
327.15
mp-722502
8.531918
1.036493
-4.000982
other
Li6P22H102N34
164
2
1,845.39
mp-1308866
10.902519
7.688297
-2.795925
other
Mg2Mn2Si2O10
16
2
167.2
mp-807760
9.453784
2.513769
-0.701169
other
Li2Fe4O3F8
17
2
207.02
mp-756853
14.550261
6.485229
-2.108281
other
Li2B2Sb2O6
12
2
164.33
mp-850920
13.21199
5.54681
-2.998408
other
Li2Mn8B8O24
42
2
494.42
mp-762700
7.457513
13.291538
-1.276936
other
Li2Ti2Fe3O10
17
2
193.43
mp-1223131
7.819684
11.603206
2.067123
other
La4Mn3Ni1O12
20
2
246.69
mp-768805
10.264773
13.810018
-0.329118
other
Li8Cr6Fe2O16
32
2
290.01
mp-2230556
13.132651
0.95069
1.787642
other
Mg1Fe6O6F6
19
2
222.09
mp-707866
10.935262
3.999155
-4.023996
other
Sr2Zn2H12O10
26
2
268.43
mp-761056
9.551249
12.402398
0.044709
other
Li16Co2O8F4
30
2
273.56
mp-644103
12.349015
6.640929
-0.628239
other
Ca2Si2Sn2O10
16
2
203.57
mp-2229737
12.707082
11.430032
1.583671
other
Mg1Ti4Cr2O10
17
2
193.71
mp-1228865
6.283226
8.689304
-0.017799
other
Ba10Ce1Bi9O30
50
2
865.63
mp-1290956
8.375805
13.44237
-0.628141
other
Li6Ti4Ni4O16
30
2
295.59