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-1175388
4.088489
22.63125
-1.33454
other
Li9Mn2Co5O16
32
2
280.85
mp-1180457
4.317501
4.163378
-3.989153
other
Mg1Hg3Cl8O6
18
2
457.43
mp-1203308
8.370905
1.821326
-4.43696
other
H38C12N14O8
72
2
736.08
mp-1175575
3.871232
23.007692
-1.338895
other
Li9Mn2Co5O16
32
2
288
mp-1228941
13.060526
6.379183
-0.739968
other
Al2Si6Ag2O16
26
2
350.77
mp-1227479
12.929852
6.294234
-0.348365
other
Ca2Al4Si4O16
26
2
349.56
mp-786793
7.63499
5.106311
-2.046204
other
Ti2P2H2O10
16
2
179.27
mp-755351
5.968475
12.438814
-1.609782
other
Li2Fe3Cu1O8
14
2
150.19
mp-557659
14.507726
8.637681
-6.556613
other
K2V8P14O48
72
2
922.75
mp-1369435
9.64108
2.341998
0.799106
other
V2Zn2S2F10
16
2
305.87
mp-17258
10.936337
7.949642
-7.42377
other
Fe4Ni3P6O24
37
2
417.45
mp-1047183
14.337525
8.215393
-3.827116
other
Ca2P4W2O14
22
2
303.64
mp-776223
8.745836
7.951495
-5.104996
other
Li2Co4P6O24
36
2
462.3
mp-1192808
11.741424
11.204672
-2.253571
other
Gd4W4Br4O16
28
2
512.86
mp-1173971
3.661155
22.949926
-1.279661
other
Li6Mn2Co2O10
20
2
182.95
mp-560724
8.652785
3.744509
-7.06769
other
Na16U4C12O44
76
2
1,018.59
mp-2232867
10.563234
8.324903
-6.944221
other
Mg1Cr2P2O10
15
2
170.32
mp-1213987
12.861449
5.959337
-6.371271
other
Ca2Cd2P4O14
22
2
279.5
mp-542700
7.981664
2.966879
-3.31734
other
Ru2C8O8F12
30
2
425.73
mp-17570
12.396132
8.150932
-7.350228
other
Cr4Cu3P6O24
37
2
413.91
mp-1814603
9.841434
11.10428
-3.100342
other
Y1Cu3W6O24
34
2
460.78
mp-1236347
11.226794
9.221045
0.23865
other
Li1Zn4Sn4O8
17
2
258.44
mp-1228704
-1.107197
1.29637
-1.656232
other
Ca2Pr19Co3I36
60
2
2,535.53
mp-935737
7.65381
5.150422
-1.840728
other
Li6Cr4P10O36
56
2
621.21
mp-753977
10.519702
1.294735
1.629508
other
Li8Mn6O4F12
30
2
337.09
mp-1046448
10.555788
7.738555
-6.655453
other
Sr2Cr2P4O16
24
2
326.11
mp-1340716
7.881062
5.568708
-1.89856
other
Li5Co3Sb2O10
20
2
200.7
mp-1977794
6.933144
14.277939
-1.649858
other
Li8Co10Sn2O24
44
2
441.71
mp-1174009
5.30904
20.981659
-0.867329
other
Li5Mn2Co1O8
16
2
138.82
mp-1194420
4.855899
3.094261
-3.646496
other
Zn2C4Br8N12
26
2
677.38
mp-1175160
6.450462
20.232275
-0.447922
other
Li14Mn8Co2O24
48
2
428.2
mp-1173897
6.235167
19.520887
-0.761938
other
Li2Mn1Co1O4
8
2
75.11
mp-766383
10.64037
8.211805
-7.072733
other
Li3Cr4P6O24
37
2
432.73
mp-1200408
10.472248
9.117737
-3.58641
other
Sr2Mo4Se4O22
32
2
504.48
mp-1233259
11.777534
11.672293
0.021859
other
Ca1Ti1Fe5O8
15
2
183
mp-780669
14.611119
5.225998
-2.641236
other
Li6Mn8B8O24
46
2
504.39
mp-1201033
10.270081
4.712642
-4.330824
other
Na6V10H52O54
122
2
1,236.65
mp-1212469
9.96274
10.272857
-3.850268
other
Mo24P2H26O80
132
2
2,353
mp-755981
8.172154
13.800956
-0.951554
other
Li4Fe3Ni1O8
16
2
142.16
mp-558191
13.287808
5.86084
-1.34399
other
Na4Zr2Si4O14
24
2
313.01
mp-585261
11.121462
9.054839
-5.419606
other
Li1Mo4P4O22
31
2
429.27
mp-1180173
7.162601
5.931326
-4.377593
other
Na2Ag2S2O10
16
2
272.67
mp-766013
11.782189
7.240191
-1.89605
other
Li4Cu8Si8O26
46
2
515.77
mp-860838
7.845244
5.347631
-1.87513
other
Li2Cr5Si4O14
25
2
300.95
mp-26003
14.042871
7.422911
-6.518897
other
Li4Fe4P12O36
56
2
714.81
mp-862560
10.812007
10.953139
-3.698761
other
Cu3Mo2H2O10
17
2
205.36
mp-1192455
11.881989
11.335833
-2.292698
other
Tm4W4Br4O16
28
2
505.92
mp-2218956
-6.216548
-2.222661
-0.314054
other
Mg1Fe4Sb4S4
13
2
224.98
mp-1199321
-4.134298
-2.539251
-3.464555
other
K10In6P12Se38
66
2
1,991.72
mp-1220223
11.605556
7.472281
-2.750478
other
Ni16B6Sb2O30
54
2
531.79
mp-1210779
7.899211
2.9882
-3.19019
other
Mo2C8O8F12
30
2
479.09
mp-1047052
12.680438
10.766765
1.325555
other
Nb4Zn4W2O16
26
2
315.21
mp-1227762
7.033505
12.246047
1.558074
other
Ca8Ho4Mn12O36
60
2
664.74
mp-1179624
9.623815
4.685246
-4.892503
other
Sc4H20S6O34
64
2
931.07
mp-1042677
9.187886
11.36111
-1.689449
other
Zn3Fe4Sb6O24
37
2
529.04
mp-1211129
12.687458
8.355234
-6.738299
other
Li1P4Ru2O14
21
2
260.19
mp-1223555
11.757772
7.241855
-0.882003
other
K2Ga2Ge6O16
26
2
410.05
mp-861685
7.586262
18.122135
-0.274433
other
Li6Mn5Co1O12
24
2
236.65
mp-699686
1.505769
1.858458
1.391235
other
Sr51W12N56O3
122
2
2,272.99
mp-1218588
11.536657
8.899422
2.232546
other
Sr4U3Zn1O12
20
2
305.64
mp-886588
7.680312
5.211463
-2.219842
other
Nb2P2H2O10
16
2
198.18
mp-1642421
7.005233
16.603851
-1.19252
other
Li8Mn6Co6O24
44
2
446.71
mp-1175417
3.917528
22.989847
-1.316208
other
Li9Mn2Co5O16
32
2
288.82
mp-1175789
3.429435
23.177858
-1.478825
other
Li9Mn2Co5O16
32
2
294.58
mp-1307408
6.672318
12.697299
-0.939366
other
Li6Y2Ni4O12
24
2
240.85
mp-759059
11.117853
8.135497
-7.870541
other
Li6Mn6P8O32
52
2
634.85
mp-1370648
7.719117
5.738721
-1.950749
other
Li9Mn2Co5O16
32
2
281.71
mp-1304239
8.662643
13.87843
-0.734217
other
Li8Nb2Co6O16
32
2
308.67
mp-554009
12.099606
6.823369
0.448219
other
Er8Si6O22F4
40
2
497.41
mp-1224293
9.045417
11.410328
0.941854
other
Ho4Fe2Mo2O14
22
2
269.79
mp-1188376
6.947409
8.300994
-3.093567
other
Ca2Fe1P2O12
17
2
225.76
mp-1041636
12.188156
6.894388
-6.902554
other
Ca2Cu2P4O14
22
2
272.27
mp-24508
9.359208
1.933863
-2.804688
other
Zr4H12N4F16
36
2
374.96
mp-1197501
10.341615
8.30827
-2.306294
other
Bi12Se6Br4O28
50
2
905.59
mp-1210919
10.826468
11.296206
-2.160917
other
Li2La2W4O16
24
2
333.3
mp-1179999
9.861499
8.076832
-1.52593
other
Pb20S2O26F4
52
2
1,021.68
mp-1105162
14.635197
7.725118
-5.126869
other
Ba1Fe2P2O8
13
2
167.26
mp-756884
9.439507
14.45918
-0.650064
other
Li3Mn2Cr2O8
15
2
148.19
mp-802872
7.37758
4.79765
-1.512655
other
Li5Fe2Co3O10
20
2
184.65
mp-561058
13.521948
5.041604
-6.913605
other
Na12Ga4P8O32
56
2
716.44
mp-2217217
9.666126
13.911285
0.101488
other
Na1Mg1Mn2O4
8
2
86.36
mp-540433
14.55908
7.767667
-5.863275
other
Li2Fe3P4O14
23
2
257.87
mp-1174535
4.168436
22.819761
-1.21122
other
Li7Mn2Co3O12
24
2
210.73
mp-559068
8.944569
6.952502
-3.737942
other
Na2Pd1Se2O8
13
2
205.75
mp-1179159
4.77588
2.793468
-3.596656
other
Tl2C8S8N2
20
2
604.13
mp-557310
11.182149
11.053059
-3.876257
other
Li2Y2Mo4O16
24
2
329.54
mp-559902
7.718668
2.620725
-2.279738
other
Te4C16Br8F24
52
2
1,040.45
mp-1200906
8.480665
2.996718
-5.081126
other
Cd1H10C8O12
31
2
347.8
mp-734266
8.16038
4.192175
-4.505131
other
Sm2H24N6O30
62
2
747.59
mp-1399132
7.609915
5.186283
-1.762197
other
Li3Ti2Fe2O8
15
2
153.88
mp-721753
8.95675
3.530665
-5.624712
other
Cs2H14C8O20
44
2
515.81
mp-695030
9.97683
8.862317
2.134287
other
La10Mg1Ga9O30
50
2
615.01
mp-2230574
10.535174
10.438367
1.683427
other
La4Mg1Mo2O12
19
2
268.44
mp-553000
11.351755
7.581964
-4.503434
other
Ba1Co2As2O8
13
2
176.78
mp-860887
11.624744
7.692345
-7.960536
other
Li9Mn3P6O24
42
2
453.26
mp-725613
7.55318
4.928869
-1.894464
other
Ti2P2O8F2
14
2
180.45
mp-1222831
-5.722163
1.247349
-4.689592
other
La1Yb1Mo12S16
30
2
561.49
mp-2232100
13.531724
8.933698
-6.720747
other
Mg1V2P2O10
15
2
198.45
mp-757990
14.586421
8.680856
-6.516358
other
Li6V6P8O32
52
2
586.65
mp-556374
7.892414
6.794295
-3.660982
other
K2U3I4O20
29
2
478.55