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-1226417
9.862891
3.815266
-4.905759
other
Co1H8S2N4O8
23
1
218.92
mp-1233543
10.209759
10.083984
-1.216606
other
Rb2Mg1Nb2Te2O12
19
1
377.44
mp-2215908
11.988834
11.299567
-1.028636
other
Mg1Zn2Ag1W1O6
11
1
134.4
mp-2715373
14.9466
3.696585
-7.673958
other
Na54Nb30Zn6Si54O216
360
1
4,845.8
mp-780494
9.799738
13.942683
-0.251502
other
Li10Mn3Cr3Co2O16
34
1
308.53
mp-2715116
13.184016
3.141176
-8.312366
other
Na30Y24Si15S21O144
234
1
3,652.13
mp-2713206
15.190375
3.700187
-7.810886
other
Na30Ta21In3Si36O144
234
1
3,209.18
mp-2712839
12.373488
3.85251
-8.424315
other
Zr6In6Si3S15O72
102
1
1,627.35
mp-1173479
9.578233
1.987533
-2.92056
other
Rb1Al6H20N5F24
56
1
607.12
mp-1076473
7.407229
11.395762
1.093971
other
Ba4Sr28Mn4Fe28O80
144
1
2,066.3
mp-1176859
9.910742
8.148232
-6.271128
other
Li8Mn1Fe7P12O48
76
1
927.33
mp-1173862
12.531666
7.232568
-6.370052
other
Na6Cd6Fe6P12O48
78
1
1,177.41
mp-1218772
6.697877
12.051186
1.484031
other
Sr6Ca2Nd2Mn10O30
50
1
580.3
mp-1979079
10.04555
11.957649
-1.403664
other
Li8Cr2Te4W2O24
40
1
427.75
mp-2716471
13.67797
5.006218
-7.531381
other
Na18Nb9In15P36O144
222
1
3,156.42
mp-2232484
10.867265
11.831645
-3.335146
other
Mg1V2Ag2Hg2O8
15
1
257.21
mp-2714253
12.248566
3.570802
-7.953773
other
Na3La12P3S15O72
105
1
2,005.08
mp-734112
10.772108
11.16694
2.087476
other
Ba2Na7Ti16Bi7O48
80
1
992.94
mp-1177667
9.609255
3.727664
-8.389405
other
Li12Fe4P4C4O28
52
1
549.67
mp-760286
12.806829
8.583418
-7.780706
other
Li4V4Cr4P16O56
84
1
1,042.38
mp-766599
10.002116
4.170481
-7.503033
other
Li12V4P4C4O28
52
1
559.91
mp-2714058
13.608955
5.20355
-7.089738
other
Na42Mg15Sn9P36O144
246
1
3,092.14
mp-2713106
12.752109
3.5247
-8.499784
other
La6Zr6Si3S15O72
102
1
1,829.08
mp-769477
8.569032
5.309789
-7.760052
other
Na6Mn4P4C4O28
46
1
618.62
mp-2713978
13.616839
3.483462
-8.941676
other
Sc3Ta9Si9S9O72
102
1
1,571.53
mp-613733
6.242095
5.257372
-4.590903
other
K2Pd1N2Cl2O4
11
1
225.74
mp-1177150
14.446507
7.523955
-6.658814
other
Li5Mn3Cu1P4O16
29
1
322.71
mp-2714978
11.498355
3.893675
-7.867331
other
Na18Mg21Ti3S36O144
222
1
2,948.33
mp-1234392
9.008958
1.689948
-4.142924
other
Mg1H20Br4N4O4
33
1
452.35
mp-1235121
8.316484
10.288572
1.654324
other
Sr4Li1Tb2Ru2O12
21
1
291.89
mp-1234861
6.903638
9.905436
0.055769
other
Ba4Yb8Mg1Co4O20
37
1
523.09
mp-1234103
13.364883
6.277611
-5.19172
other
Sr8Mg1P4I4O16
33
1
719.08
mp-1046494
8.164205
11.03574
1.778909
other
Ba2Ca2Mn3Tl2O10
19
1
295.02
mp-1234293
11.530073
11.015835
-3.461267
other
K8Mg1Co2Mo8O30
49
1
826.93
mp-766708
9.55746
3.657601
-8.75001
other
Li12Mn4P4C4O28
52
1
561.09
mp-706246
7.845949
11.614039
2.030905
other
Ca18La2Ti12Mn8O60
100
1
1,137.58
mp-1099948
12.560827
10.48363
0.075797
other
K16Na16Nb4W28O80
144
1
2,122.42
mp-686482
13.814717
5.144868
-7.025162
other
K16Y8Ti8P24O96
152
1
2,196.95
mp-780436
15.492236
5.794647
-2.223492
other
Li8Mn5Fe3B8O24
48
1
508.74
mp-777316
8.905348
7.88311
-5.237046
other
Li8Mn1Ni7P12O48
76
1
947.46
mp-1076199
7.491527
11.493905
1.064834
other
Sr20Ca12Mn4Fe28O80
144
1
1,966.67
mp-695074
12.958802
6.251087
-0.414066
other
K2Na6Al8Si8O32
56
1
760.95
mp-2713146
13.900187
4.987789
-7.392117
other
Na15Mg7Ta5P18O72
117
1
1,521.05
mp-2713403
15.072062
3.775434
-7.655621
other
Na15Hf3Nb9Si18O72
117
1
1,622.77
mp-768587
13.300829
8.40389
-8.043719
other
Li6Mn2V2P6O24
40
1
482.22
mp-766569
11.102055
7.791317
-7.525783
other
Li4Fe1Ni5P6O24
40
1
447.5
mp-1273926
8.383945
11.424727
2.586972
other
Sr4La4Ti4Mn4O24
40
1
496.46
mp-1235434
11.715208
11.583681
-1.742381
other
Li1Cr2Cu2W4O16
25
1
279.16
mp-779778
8.399862
6.371257
-6.487009
other
Li6Fe6P6C6O42
66
1
836.05
mp-1076459
11.060843
10.245749
1.33926
other
La28Sm4Cr4Fe28O80
144
1
2,066.16
mp-744914
12.779495
6.689164
-0.090939
other
Ca8Mg1Al6Si5O28
48
1
632.71
mp-2219917
11.771107
10.241302
1.838015
other
Rb2Na2Mg1Ti2O6
13
1
206.21
mp-1666215
10.327191
12.444696
-0.38184
other
Li8Fe6Sn6Sb4O32
56
1
667.51
mp-857092
7.257112
4.626202
-1.53931
other
Li6V4P8H4O32
54
1
575.39
mp-2217930
12.503742
11.442976
0.126256
other
Mg1Mn2Fe1W1O6
11
1
130.64
mp-2239922
9.689069
8.851345
2.163403
other
Ba2Nd1Mg1Sb1O6
11
1
218.56
mp-2230833
11.506483
12.484199
-3.333439
other
Mg1Mn1V4Ni1O12
19
1
252.32
mp-1255615
14.735179
8.176385
-5.839755
other
Li16V8Si4P8O48
84
1
942.43
mp-1076896
6.539494
10.487139
0.098779
other
Ba16Sr16Co12Cu20O80
144
1
2,027.07
mp-1220801
12.021564
7.227137
-1.83807
other
Na1Li3Fe4Si8O24
40
1
435.69
mp-2714180
14.034728
4.907103
-7.147893
other
Na42Hf9Mg15P36O144
246
1
3,132.48
mp-686527
10.526353
4.201031
-5.296359
other
K4Mg2H16S4O23
49
1
595.82
mp-1233260
9.971216
3.513037
-4.861951
other
Mg1Cu4H8C2O10
25
1
269.88
mp-1104235
7.415573
1.728512
-4.270125
other
Hg1H4C2N4Cl2
13
1
201.57
mp-850943
10.745145
7.830454
-7.133798
other
Li6Ti1Ni3P6O24
40
1
468.23
mp-2713131
13.805311
4.858289
-7.417755
other
Na15Hf3In9P18O72
117
1
1,620.52
mp-1173651
9.896254
11.485752
-0.049273
other
Na6La6Ni6W6O36
60
1
742.72
mp-1046122
9.295816
0.588652
0.149518
other
Ba4Ca2Cu2Ni4F28
40
1
552.66
mp-2715366
13.813632
4.693986
-7.179522
other
Na18La6In6P18O72
120
1
1,790.23
mp-1226142
10.478417
5.946322
-4.299841
other
K7Mo12H29Pt2O59
109
1
1,410.3
mp-686312
14.967767
3.950245
-7.647339
other
Na12Zr8Si8P4O48
80
1
1,127.83
mp-777863
14.10375
8.499323
-7.278193
other
Li24Mn4V12P24O96
160
1
1,653.6
mp-2229831
13.718288
7.226504
-5.577022
other
Mg1Sb2P2H2O10
17
1
238.49
mp-1233457
10.664817
9.511362
1.574256
other
Sr4Mg1Mn2Ga2O10
19
1
312.14
mp-2224767
11.340743
7.485945
-7.404302
other
Mg1Mn2P2H2O10
17
1
183.2
mp-695133
12.969652
6.333366
-0.406677
other
Cs1Mg4Al9Si9O36
59
1
806.7
mp-775748
9.623789
13.771513
-0.626713
other
Li4Cr3Fe2Sn3O16
28
1
311.26
mp-764048
8.926332
12.87168
-0.955592
other
Li4Fe2Ni3Sb3O16
28
1
309.51
mp-1233187
12.432646
11.44086
2.29498
other
Sr2Ca1Ti6N2O11
22
1
273.48
mp-768508
9.002222
4.743325
-8.471832
other
Li8Fe4P4C4O28
48
1
545.87
mp-1304966
14.106232
7.855148
-6.743633
other
Li1V1P3H1O10
16
1
244.83
mp-2714146
13.331956
5.092517
-7.081484
other
Na42Zn15Sn9P36O144
246
1
3,114.09
mp-755859
15.582262
6.202508
-2.079495
other
Li4Mn1Fe3B4O12
24
1
251.25
mp-2714823
14.367192
5.034083
-7.48858
other
Na18Zr21Zn3P36O144
222
1
3,229.32
mp-1229316
13.30572
5.446774
-6.264956
other
Ca33In4P28Pb3O112
180
1
2,434.18
mp-1173791
12.085855
7.073867
-7.393393
other
Na7Mg7Fe5P12O48
79
1
888.14
mp-2713527
15.206006
3.746619
-7.724321
other
Na15Zr3Ta9Si18O72
117
1
1,610.37
mp-775926
12.066855
7.788721
-7.969704
other
Li4Mn3Ni3P6O24
40
1
455.51
mp-2226777
14.70464
7.981464
-4.341779
other
Mg1Ti2P2O8F2
15
1
193.33
mp-764909
14.943851
7.706115
-5.78859
other
Li5Mn3Cr1P4O16
29
1
329.9
mp-1177227
10.480108
13.946838
-1.083006
other
Li4V3Cr3Fe2O16
28
1
289.8
mp-778994
15.585445
6.200443
-2.079964
other
Li4Mn1Fe3B4O12
24
1
251.41
mp-769459
8.907824
4.941333
-7.748027
other
Na10Ni4P4C4O28
50
1
613.69
mp-780776
9.55701
8.108543
-5.932381
other
Li8Fe7Ni1P12O48
76
1
940.39
mp-1247696
7.865851
11.93868
1.987922
other
Sr4Ca28Ti12Mn20O88
152
1
1,896.65
mp-2713879
14.940693
3.737645
-7.775962
other
Na18Hf12Si15S3O72
120
1
1,648.16
mp-1233964
12.425207
11.436025
2.329159
other
Sr2Ca1Ti6N2O11
22
1
279.71
mp-2712889
12.453568
3.938252
-8.428887
other
Hf6In6Si3S15O72
102
1
1,604.85
mp-755639
15.585212
6.228254
-2.083636
other
Li4Mn1Fe3B4O12
24
1
246.51
mp-2713931
14.266825
5.240681
-7.617228
other
Na6Y9Ta15P36O144
210
1
3,177.14