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-752885
11.036559
2.542137
0.909119
other
Li4V4O4F12
24
2
267.64
mp-1290831
13.36659
12.676188
-0.459472
other
Li8V4O8F4
24
2
224.02
mp-1374437
12.520498
7.1976
-7.221745
other
Mg4Ni4P8O28
44
2
505.11
mp-1337257
10.591219
11.478953
3.067874
other
Ca4Ta4Cu2O16
26
2
342.9
mp-662792
5.64081
3.259312
-4.737884
other
Os8C24S4O24
60
2
1,061.6
mp-1194636
10.13764
5.017492
-4.214119
other
Mo8H24N4O30
66
2
754.04
mp-779025
10.445738
2.80531
1.819932
other
Li2V8O2F22
34
2
438.71
mp-556123
13.565623
4.486403
-1.522817
other
Sr2Sc2B4O11
19
2
227.6
mp-1195998
10.746268
6.456034
-4.787822
other
Th2V4H8O18
32
2
394
mp-31739
11.367367
7.809983
-7.54436
other
Li4Cr2P8O26
40
2
520.53
mp-765750
9.241827
13.944959
-0.559009
other
Li5Cr2Fe3O10
20
2
186.96
mp-1204256
7.715352
7.556105
-4.262082
other
U4Co2As4O40
50
2
804.49
mp-1181573
7.06325
4.92943
-5.025119
other
Cu1C2N2O6
11
2
158.02
mp-18932
10.923625
11.339541
-2.136247
other
Li2Pr2W4O16
24
2
329.19
mp-861148
12.296824
7.566114
-6.830409
other
Li2Ni10P6O26
44
2
489.38
mp-645663
-3.653455
-0.470501
-3.834875
other
Te4Mo6Se14Br20
44
2
1,524.93
mp-1211044
11.379758
4.294164
-4.648404
other
Mg2P4H24O24
54
2
503.45
mp-1303907
6.874701
13.261533
-1.33509
other
Li4Ti2Fe6O16
28
2
304.14
mp-752650
9.803205
8.080297
-2.865305
other
Li16Fe4Si8O32
60
2
638.07
mp-1277156
6.236611
10.729857
0.621991
other
La8Zn4Co4O24
40
2
478.29
mp-1046472
14.258467
8.235903
-5.248687
other
Sr2P4W2O16
24
2
343.6
mp-757311
13.832832
7.540062
-0.864197
other
Li4Fe6Si12O32
54
2
651.66
mp-1223118
8.262746
10.622609
2.151953
other
La4Nb1Co3O12
20
2
259.41
mp-752796
9.349132
14.347658
0.172595
other
Li8Ti4Mn6O20
38
2
395.6
mp-18085
11.180641
7.961473
-7.370236
other
Fe4Co3P6O24
37
2
420.63
mp-757037
12.433618
6.824946
-1.44175
other
Li2Fe2Si6O16
26
2
333.22
mp-849376
12.202619
9.297814
-7.590779
other
Li2V4P6O24
36
2
451.58
mp-1210760
13.797944
7.99611
-7.145238
other
Mg2Cr5P6O24
37
2
419.26
mp-2219173
13.220939
7.179851
-3.577936
other
Mg1V2H4O6
13
2
118.97
mp-1213013
8.480665
5.50561
-3.667228
other
K4H8I2O10
24
2
383.69
mp-1351351
8.806791
7.436717
-1.867882
other
Sr4V6Bi6O28
44
2
680.78
mp-1304644
5.097494
21.282312
-0.934422
other
Li10Mn4Co2O16
32
2
280.48
mp-1173934
6.258961
18.595858
-0.963107
other
Li6Mn2Co4O12
24
2
218.76
mp-1191302
13.754145
4.827426
-2.624721
other
Li6Cu1B4O10
21
2
208.81
mp-1104031
7.604679
7.514491
-4.060404
other
K2Zn1Se2O10
15
2
252.41
mp-859543
7.888499
5.285092
-1.839264
other
Li2Fe5P4O16
27
2
320.41
mp-860461
12.159608
13.253161
-0.259897
other
Li6V3Cr3O12
24
2
226.31
mp-1204917
6.985507
0.273184
-3.852536
other
Co2B20H42C24
88
2
929.86
mp-556102
10.651475
11.166953
-2.522395
other
Na4U2W4O20
30
2
432.37
mp-2234827
13.270541
7.952866
-7.012391
other
Mg1Fe4P4O16
25
2
297.24
mp-1227812
10.927248
6.818767
-2.101098
other
Ca2Al4Si8O30
44
2
724.84
mp-753394
11.543642
-0.399896
0.400869
other
Li2Mn4O3F8
17
2
208.17
mp-849144
10.750332
13.020484
-0.165635
other
Li3Ti2Fe2O8
15
2
153.88
mp-504387
14.128989
7.404307
-7.030408
other
Li12Mn10P16O56
94
2
1,135.35
mp-1650226
6.697683
19.654575
-0.423535
other
Li14Mn8Co2O24
48
2
433.01
mp-1201073
9.946508
3.688072
-4.191332
other
Cu16H24Cl8O24
72
2
770.56
mp-797054
12.981427
7.39427
-1.558412
other
Li4Fe4Si8O22
38
2
431.06
mp-887746
9.16444
7.117244
-3.558688
other
Li4Fe4Se16O40
64
30
886.39
mp-1201036
9.754937
1.067459
-0.249637
other
Mn8Fe8N8F48
72
30
997.47
mp-1222552
9.125571
1.034115
0.984074
other
Li8Zn2In4F24
38
30
447.53
mp-1222537
8.693172
1.531554
1.17853
other
Li2Zr10Tl2F44
58
30
788.93
mp-752577
10.863622
2.601044
0.892434
other
Li4V4O4F12
24
30
297.47
mp-1211979
10.679484
11.834696
2.664497
other
K4Nb12Cu4O36
56
30
723.02
mp-765958
12.487019
6.824296
-1.343779
other
Li2Fe2Si8O20
32
30
397.81
mp-767622
10.63585
2.80733
1.943468
other
Li8V4O4F12
28
30
301.39
mp-728912
9.484344
7.366531
-2.334414
other
Na16Zr4Si24O72
116
30
1,623.11
mp-1222084
8.493227
3.519843
-6.588289
other
Mn8H4C16O34
62
30
784.36
mp-1213504
14.138587
8.058758
-5.344399
other
Fe12P8H12O32
64
30
769.26
mp-680493
4.249752
2.323461
-3.270006
other
K24Co8C48N48
128
30
2,311.66
mp-867649
13.7657
7.046358
-0.732072
other
Li2Ti2Si8O20
32
30
416.03
mp-555880
13.243319
5.268744
-2.267947
other
Zn4Bi8B8O28
48
32
581.95
mp-1226414
8.513415
1.798927
-0.21848
other
Cs6H2S4F24
36
32
733.58
mp-1019569
12.221184
6.705259
-0.947507
other
Ca20Ge32B12O102
166
32
1,951.61
mp-1204264
11.552283
8.663836
0.314651
other
In24Ga8Ir4O30
66
34
1,043.64
mp-553923
-3.537485
-1.482228
-5.419878
other
K8Ag4Sb4S16
32
34
906.28
mp-1183390
-3.388044
-1.640098
-5.682731
other
Ba4Sn4Hg4S16
28
34
827.16
mp-1200548
13.742893
4.586242
-2.26945
other
B20Pb8I4O36
68
34
912.13
mp-1208553
7.626671
8.959345
0.453411
other
Sr4Yb2Ta2O12
20
34
296.54
mp-1202472
11.19956
6.706173
-2.218418
other
Zn8Si4H4O20
36
34
473.57
mp-1370979
7.114112
11.027231
-1.882348
other
Ca2Ni2W2O12
18
34
284.82
mp-557027
12.622588
6.363853
-0.859975
other
Rb4Be4Si4O14
26
34
395.55
mp-8673
9.502228
11.368496
-0.999883
other
Li4Sn2Te2O12
20
34
228.83
mp-1200963
9.39628
8.476908
-5.413183
other
V8P8N8O40
64
34
854.09
mp-756117
9.870003
11.65848
-0.933957
other
Li4Ti2Te2O12
20
34
217.92
mp-1194958
13.526071
4.343149
-2.248366
other
Ba8B20Cl4O38
70
34
944.34
mp-760040
11.327854
-0.318803
0.458168
other
Li4Mn4O4F8
20
34
222.39
mp-554056
13.821856
4.285563
-2.220165
other
Ca8B20Br4O36
68
34
831.49
mp-23623
13.78745
4.401127
-2.381438
other
B20Pb8Br4O36
68
34
896.58
mp-557330
13.790545
4.096091
-2.234164
other
Sr8B20Cl4O36
68
34
868.03
mp-1223796
9.634839
9.766281
-0.815655
other
K8Na4Sb12O36
60
34
892.95
mp-1202102
9.769546
2.019887
-3.73269
other
As4H24N8F20
56
34
595.77
mp-557103
13.723762
4.385777
-2.396098
other
B20Pb8Cl4O36
68
34
883.81
mp-1202946
9.204714
7.281225
-5.143347
other
Yb4P8H12O36
60
34
842.36
mp-1208820
9.764503
9.775778
3.732734
other
Sr4Lu2Ta2O12
20
34
286.6
mp-1203942
12.66369
5.378218
-2.524277
other
Zn8Si4H8O20
40
34
467.69
mp-555742
13.74991
4.16955
-2.172027
other
Ba8B20Cl4O36
68
34
911.08
mp-553918
13.920952
4.211737
-2.173136
other
Eu8B20Cl4O36
68
34
861.59
mp-1214176
13.820131
4.209574
-2.243656
other
Ca8B20Cl4O36
68
34
816.89
mp-557387
9.980259
9.672856
3.700181
other
Sr4Tm2Nb2O12
20
34
293.11
mp-729632
5.913801
3.605042
-4.432712
other
Zn4C16N8O24
52
34
1,019.44
mp-1214841
13.717117
4.270255
-2.124276
other
Ba8B20Br4O36
68
34
961.26
mp-558834
13.929801
4.307871
-2.173447
other
Eu8B20Br4O36
68
34
874.79
mp-1195990
13.384059
4.575397
-2.491897
other
B20Pb8Cl4O38
70
34
892.57
mp-1209005
13.779853
4.18673
-2.193595
other
Sr8B20Br4O36
68
34
887.63
mp-1111966
8.523898
1.560785
1.536905
other
Cs2Rb1Nb1F6
10
225
221.93
mp-1519522
5.629169
10.252255
-0.232259
other
Sr2Nd1Fe1O6
10
225
143.21
mp-1112086
-1.28594
2.547153
-2.507365
other
K2Sc1Ag1I6
10
225
414.65
mp-989594
3.46261
-0.712729
-2.617518
other
Cs2Na1Ga1H6
10
225
159.62
mp-1112413
-0.348817
1.127622
-4.377738
other
Rb2Y1Cu1Br6
10
225
332.89
mp-548149
7.931966
10.583824
1.331904
other
Sr2Mn1Sb1O6
10
225
128.62