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-1097047
12.233418
6.111246
-3.404131
other
Fe4Cu8B4O20
36
1
368.44
mp-851114
11.376589
8.944649
-7.74298
other
Li8V6P16O58
88
1
1,167.18
mp-2214497
10.994433
8.357489
-7.966486
other
Mn5Cr1P6O24
36
1
447.4
mp-752868
14.254812
5.678915
-2.823607
other
Li3Fe8B8O24
43
1
486.16
mp-1646935
6.380165
13.908648
-1.714536
other
Li4Fe2Co4O12
22
1
223.95
mp-778679
14.31927
5.324933
-2.723722
other
Li5Mn8B8O24
45
1
500.46
mp-2230505
13.097375
0.846287
1.597915
other
Mg1Fe6O6F6
19
1
248.5
mp-2226447
8.6619
14.826931
-0.779591
other
Rb1Mg1Mn4O8
14
1
165.88
mp-1177296
8.403069
13.626466
-0.914541
other
Li8Ti8Fe10O36
62
1
684.49
mp-2228631
11.295884
6.434627
-4.342622
other
Mg1Mo2H4O8
15
1
173.35
mp-764478
13.237491
5.696645
-3.058313
other
Li1Fe8B8O24
41
1
486.84
mp-1235238
12.036165
13.513177
-1.606163
other
Li1Ti3V5O16
25
1
279.75
mp-1175766
3.981911
22.912485
-1.31494
other
Li9Mn2Co5O16
32
1
286.71
mp-1337136
8.200722
4.947718
-1.817037
other
Li3V4O7F5
19
1
205.07
mp-1182034
10.170511
3.171978
-3.877265
other
Ce2H28Cl6O14
50
1
572.65
mp-770565
14.561667
7.802425
-6.064555
other
Ti3Cr3P6O24
36
1
456.14
mp-1174920
4.03112
23.062231
-1.240616
other
Li7Mn2Co3O12
24
1
212.47
mp-1176053
3.660355
23.383593
-1.399507
other
Li9Mn2Co5O16
32
1
287.72
mp-2233425
12.000033
12.336636
-2.715507
other
Mg1V3Co1O8
13
1
207.87
mp-754445
13.759108
4.67459
-2.312483
other
Li4Ti2B4O12
22
1
257.34
mp-1175711
4.080308
22.712688
-1.317011
other
Li9Mn2Co5O16
32
1
282.79
mp-1147613
-2.461461
-0.477392
-5.553299
other
Li24Zn12P16S64
116
1
2,495.01
mp-776403
14.685389
12.343615
-0.736194
other
Li1V6O7F5
19
1
213.39
mp-2233449
11.998416
11.039359
-0.179056
other
Na4Mg1V2O6
13
1
193.88
mp-1046591
7.014384
10.823788
-1.225067
other
Ba2Tl2Ni3O10
17
1
267.24
mp-1221800
11.39485
11.14159
-3.692679
other
Na6Mg9Mo12O48
75
1
1,129.39
mp-761142
8.567077
13.881112
-0.651987
other
Li5Ti2Co3O10
20
1
181.58
mp-2228863
8.750017
14.938142
-1.169303
other
Mg1Mn6O10F2
19
1
215.19
mp-1253719
10.272545
10.959645
0.90338
other
Ba2Al1Fe3O7
13
1
193.36
mp-766030
8.850376
13.937057
0.112544
other
Li12Mn4O10F4
30
1
291.5
mp-1177207
11.905413
13.511086
-0.802184
other
Li4V5Cr3O16
28
1
286.47
mp-1227270
10.528559
12.32373
2.136864
other
Ca2Ti16Zn4O38
60
1
671.1
mp-2231286
10.625735
14.152656
-0.980589
other
Mg1Mn6O8F4
19
1
224.29
mp-849603
10.048399
2.590585
2.201816
other
Li3Fe9O5F11
28
1
345.3
mp-1235910
11.990861
-0.482587
1.140163
other
Li1Mn6O4F8
19
1
230.51
mp-756140
10.410095
13.365428
-2.915951
other
Li3Mn1V4O12
20
1
200.16
mp-1228621
9.531675
5.013095
-5.027831
other
Ba2S2O3F2
9
1
169.38
mp-1176202
3.422565
23.473816
-1.494574
other
Li9Mn2Co5O16
32
1
288.03
mp-1304518
8.567597
14.528548
-0.559654
other
Li10Mn4Fe6O20
40
1
377.91
mp-2224245
9.174061
1.985775
-1.047486
other
Mg1Ni4O4F8
17
1
219.96
mp-1227857
7.099876
6.419865
-3.969429
other
Cr2Te2N2O15
21
1
322.61
mp-1221220
8.508936
11.81968
-0.039097
other
Na4Al1Fe3O8
16
1
222.79
mp-1216816
-3.518557
-1.806407
-5.393852
other
Tl1Sb1Pb1S3
6
1
198.49
mp-1218802
9.951399
8.419641
3.272522
other
Sr2Ca4Lu20O36
62
1
870.09
mp-780321
14.442482
7.315132
-5.480835
other
Li6Cu6P4O16
32
1
345.81
mp-1233354
9.025512
8.699951
-1.190821
other
Mg1Ag20Bi4O16
41
1
729.15
mp-1666719
12.543734
7.770545
-6.700277
other
Co4Sb4P8O32
48
1
635.89
mp-758493
13.810918
6.961216
-0.841696
other
Li2Fe2Si8O19
31
1
397.51
mp-1222178
9.107282
10.798964
0.049578
other
Mn2Fe8Bi10O30
50
1
648.12
mp-2229358
13.583924
12.486443
-3.348951
other
Mg1V4O7F5
17
1
208.69
mp-1233192
11.523742
7.875483
-7.831745
other
Mg1Mn6P6O24
37
1
562.81
mp-1076759
8.423121
10.499265
1.920375
other
La16Sm16Co32O80
144
1
1,941.93
mp-2223040
6.111098
5.837642
-3.906299
other
Mg1Ag2Br2O4
9
1
221.36
mp-1176121
3.484507
23.309484
-1.449811
other
Li9Mn2Co5O16
32
1
292.26
mp-773074
14.195141
5.157365
-7.518765
other
Li2Zr4P6O24
36
1
526.25
mp-781079
14.67662
5.364558
-2.611327
other
Li9Mn12B12O36
69
1
748.04
mp-1147697
-2.39231
-0.541364
-5.656515
other
Li10Zn1P4S16
31
1
638.28
mp-768449
8.510333
13.415504
-0.503528
other
Li24Ti7Cr5O36
72
1
645.82
mp-2220288
12.820506
-0.290766
0.07344
other
Mg1Mn12O14F10
37
1
422.93
mp-1229037
7.699809
2.404924
-1.3681
other
As3Se9Br9F18
39
1
989.5
mp-2240986
11.493556
11.035268
0.53332
other
Na1Mg1Mn1O2
5
1
73.94
mp-1177053
11.996252
8.859209
-7.916554
other
Li10V6P16O58
90
1
1,181.08
mp-779028
14.992357
5.446296
-2.474693
other
Li7Mn8B8O24
47
1
500.08
mp-769462
10.467407
11.831486
2.261344
other
Li4Nb12Ni2O36
54
1
660.5
mp-761203
10.289653
2.676748
2.086081
other
Li3Fe10O7F9
29
1
337.09
mp-759944
12.040065
8.850147
-7.925694
other
Li10V6P16O58
90
1
1,151.49
mp-1371937
7.741115
5.114146
-1.674673
other
Li4Zn4B4O12
24
1
255.54
mp-758776
10.785504
8.897067
-7.386585
other
Li6V6P16O58
86
1
1,170.76
mp-2229375
10.050347
12.891645
-3.814519
other
Mg1Mn1V4O12
18
1
202.15
mp-1215695
-4.438247
-1.531837
-6.326191
other
Zn6Ga2Ag2S10
20
1
421.15
mp-761230
14.766269
5.757879
-2.60712
other
Li4Fe8B8O24
44
1
489.35
mp-1046203
12.688798
10.634954
1.473499
other
Mg4Ta4W2O16
26
1
309.58
mp-2216880
11.550245
11.174019
-2.592743
other
Mg1Hg8W8O28
45
1
714.95
mp-1274523
8.608102
10.531301
1.302992
other
Sr6Co2Ru2O12
22
1
306.43
mp-778208
11.195601
3.193142
1.6976
other
Li12V16O12F36
76
1
879.87
mp-2217742
12.349327
10.572208
2.100824
other
Na2Mg1Nb2O6
11
1
130.68
mp-767753
13.538148
6.80904
-0.924889
other
Li2Fe2Si8O19
31
1
391.37
mp-2231731
12.757216
-0.581245
0.512541
other
Mg1Mn6O7F5
19
1
237.93
mp-1367903
7.721625
5.035788
-1.571851
other
Li12V4O12F4
32
1
289.7
mp-1979362
4.120412
22.841084
-1.245246
other
Li14Mn4Co6O24
48
1
426.31
mp-2217891
6.935293
12.734517
-1.316296
other
Mg1Zn2Co2O6
11
1
119.91
mp-1176133
3.658457
23.405575
-1.396911
other
Li9Mn2Co5O16
32
1
287.94
mp-1175082
3.44209
23.683804
-1.402115
other
Li7Mn2Co3O12
24
1
215.3
mp-1046251
12.684364
10.726851
1.437575
other
Ta4Zn4W2O16
26
1
316.74
mp-2230824
8.569811
14.788663
-1.270547
other
Mg1Mn6O11F1
19
1
213.17
mp-1218872
9.74969
11.048791
3.291912
other
Sr8Ca4Ti12O36
60
1
724.76
mp-799539
7.742857
5.405735
-1.883378
other
Li14Ni2O8F4
28
1
262.58
mp-2216107
6.907117
11.700098
-1.290783
other
Mg1Tl4Ni4O12
21
1
257.7
mp-1239241
-4.857181
-0.407282
-5.544039
other
Hf4Cr4Ag4S16
28
1
644.79
mp-757589
10.801984
8.91332
-7.400022
other
Li6V6P16O58
86
1
1,189.65
mp-1221334
11.310069
10.548327
-1.92692
other
Pb10W6O18F20
54
1
868.61
mp-863857
7.787943
13.360341
-1.906964
other
Mn3Co3Sb2O16
24
1
274.93
mp-1226372
6.593869
6.029294
-4.278122
other
K4Re6Se8O11
29
1
636.82
mp-2230615
6.54101
13.363533
-2.108862
other
Mg1Co5Sn1O12
19
1
224.3
mp-766526
15.018546
5.46475
-2.445783
other
Li11Mn12B12O36
71
1
756.1
mp-2229029
9.133297
10.486094
-3.377939
other
Mg1Mo2Ir2O12
17
1
207.77
mp-777641
7.683733
15.143079
-0.779186
other
Li24Mn7Cr5O36
72
1
629.35
mp-849573
10.79843
8.914048
-7.39335
other
Li6V6P16O58
86
1
1,184.9
mp-1214286
13.388788
8.285031
-0.64984
other
Ca5Si6W5O17
33
1
515.49
mp-765986
13.860082
7.395069
-0.956497
other
Li2Mn5Si5O16
28
1
381.12