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-697226
13.194033
6.195774
-1.774252
other
Ca4Mn14Si20H24O70
132
2
1,508.39
mp-1328759
7.430636
5.346704
-2.742559
other
K2Mn7H18C18O40
85
2
1,043.93
mp-817992
7.335756
5.242885
-1.900541
other
Fe1As2Pb4Cl4O8
19
2
370.79
mp-1190446
10.257478
5.233957
-6.274607
other
Sm2Cu1Te2S2O14
21
2
300.6
mp-744651
12.771874
7.928257
-6.708178
other
Li9Fe1Co12P12O48
82
2
1,017.17
mp-1219881
11.2353
11.027397
-3.904187
other
Rb2Ti1Fe2Mo6O24
35
2
611.39
mp-1519686
9.810225
9.718569
3.549441
other
Ba2Ca2Nd2Nb2O12
20
2
306.11
mp-555986
8.231429
2.520145
-1.534185
other
As2C2S6N4F22
36
2
582.89
mp-942702
10.35306
4.47922
-7.551282
other
Li2Mn2S2O8F2
16
2
200.22
mp-974606
8.80219
2.517913
-4.588944
other
Re2H12C2N6O8
30
2
326.13
mp-680477
4.725262
3.240253
-4.230556
other
Al4Rh2C8Cl14O8
36
2
882.07
mp-777468
13.469789
8.436014
-7.911085
other
Li6Mn2V2P6O24
40
2
469.62
mp-1019606
12.984412
5.412327
-6.283712
other
Cs4Li4B4P8O30
50
2
733.94
mp-695113
9.162172
2.25416
-4.584283
other
P4H35C4N16O16
75
2
692.43
mp-1518167
9.224279
9.126766
2.272056
other
Ba2Ca2Sm2Sb2O12
20
2
302.08
mp-644324
10.388469
4.249324
-5.811862
other
K8Fe4H16S8O40
76
2
957.21
mp-1228692
14.35425
5.150894
-7.542473
other
Ba1Ca1Zr8P12O48
70
2
1,077.11
mp-1444833
7.727542
5.22125
-2.00531
other
Li2Mn2P2O8F2
16
2
182.52
mp-1190350
10.508025
5.121878
-6.293565
other
Ho2Zn1Te2S2O14
21
2
292.41
mp-1379366
6.78029
11.927154
1.722108
other
Sr4La4Mn7Cu1O24
40
2
474.92
mp-707469
6.475708
2.220979
-4.13368
other
P10H10N12Cl16O4
52
2
1,006.09
mp-1228934
9.184238
9.541803
3.394025
other
Ba10Pr5Nb4Sn1O30
50
2
832.45
mp-1212258
9.147441
5.221789
-5.833312
other
K2Co1H2S2O10
17
2
234.2
mp-768584
14.595728
8.046618
-7.070955
other
Li8Mn2V2P6O24
42
2
491.41
mp-1225095
5.548458
3.26828
-4.613845
other
H4Ru4Rh4C24O24
60
2
1,072.77
mp-1215103
7.984154
2.084801
-4.471714
other
Ag2H24C12N26O6
70
2
815.75
mp-768722
9.407127
3.858044
-8.665551
other
Li10Fe4P4C4O28
50
2
552.42
mp-1212800
10.044691
9.587101
-2.212968
other
Fe2Te4H1Cl1O12
20
2
290.74
mp-1235398
9.331376
10.570038
1.922876
other
Sr4Li1Mn2Ga2O10
19
2
278.77
mp-756699
8.74145
4.848667
-8.415653
other
Li4Mn2P2C2O14
24
2
282.99
mp-1521156
9.51248
11.075766
0.919759
other
Ba2Eu2V2Bi2O12
20
2
249.48
mp-775207
12.660851
5.48938
-5.608514
other
Li4Cr1P6H8O22
41
2
437.83
mp-697458
9.546811
3.586006
-5.446264
other
K2Ni2H18C4O20
46
2
433.83
mp-695983
12.967483
6.751402
-1.212404
other
Ca4Fe4Si10H2O30
50
2
585.13
mp-1518907
9.151526
9.143419
2.358921
other
Ba2Sr2Dy2Sb2O12
20
2
299.53
mp-1102325
-3.160908
-2.19835
-5.192161
other
Ba2Na2U1S4O2
11
2
264.26
mp-1375312
7.506413
5.149356
-1.834738
other
Sr2Mg2Ni2P4O16
26
2
315.42
mp-735491
7.306814
5.525167
-3.916347
other
Ca1Mg2H24Cl6O12
45
2
881.48
mp-1195516
10.728306
10.836288
-3.674261
other
K4Sr2Th4Mo12O48
70
2
1,042.28
mp-759408
7.667162
1.918727
-4.228205
other
Ag2H16C8N16F2
44
2
462.66
mp-1227538
10.295666
11.594161
2.818223
other
Ca4Zr4Nb4Fe4O28
44
2
547.09
mp-1224626
8.887074
3.478563
-4.145948
other
H24Au4N8Cl4O16
56
2
659.1
mp-1210806
8.997197
6.117548
-3.918344
other
Na2In2H12Se4O16
36
2
567.25
mp-939487
9.300053
4.438633
-3.801802
other
Cu1Sn1H12N2O6
22
2
182.38
mp-1210511
11.261509
4.022217
-7.575355
other
Na12U2H4S8O36
62
2
902.81
mp-1238493
9.427047
4.296781
-4.177136
other
Mo2H16N4O10F4
36
2
408.68
mp-1191972
10.243821
3.137198
-4.785195
other
Cd1H10S2N4O8
25
2
239.88
mp-1212610
8.449911
2.218965
-4.567068
other
H18C6S2N8O6
40
2
409.02
mp-1196856
8.085583
1.242403
-4.522338
other
H36Au6C18N6O6
72
2
853.32
mp-722310
8.499422
7.043018
-4.137511
other
K2Er2H2Se4O18
28
2
423.58
mp-1212553
8.004612
1.699151
-4.421597
other
H14C4S2Br2N8
30
2
420.77
mp-1182650
10.22087
5.195176
-4.41497
other
K2V10Zn2H32O44
90
2
923.51
mp-1211874
12.777242
6.242486
-0.472639
other
K9Gd3Si12O32F2
58
2
885.1
mp-1200028
10.789588
4.162402
-4.438464
other
Al6P2H58S4O56
126
2
1,157.82
mp-1192430
4.353409
3.070042
-3.752274
other
Te2C4Se4N8Cl4
22
2
568.84
mp-1201127
10.35693
3.661584
-3.956882
other
Cu1H32W6Cl12O22
73
2
1,032.92
mp-1200376
7.965682
1.307133
-4.511376
other
Cu2H24C12Br12N8
58
2
924.46
mp-1225542
12.63206
6.730753
-6.87353
other
K12Sr4Ni10P20O70
116
2
1,649.23
mp-542266
13.064237
5.752794
-6.476571
other
K2Sm2P6H2O20
32
2
438.83
mp-1521369
8.161034
6.979919
-1.406422
other
Ba2Sr2Eu2Se2O12
20
2
294.29
mp-1233768
12.04687
4.708197
-4.731263
other
Mg1Zn2P4H16O20
43
2
449.27
mp-1193724
12.868551
5.612614
-6.306264
other
K2Zn4P4H2O16
28
2
414.98
mp-743617
9.972021
2.964963
-3.924912
other
K4Mn4H16Cl12O8
44
2
737.98
mp-1195418
8.491302
1.64072
-4.469703
other
Si2H46C22N6O16
92
2
1,015.26
mp-1046437
12.785255
6.327502
-6.635964
other
Sr2Ca2Ni2P4O16
26
2
335.88
mp-1190196
10.471564
5.092426
-6.499774
other
Er2Co1Te2S2O14
21
2
291.1
mp-726324
7.39137
4.72832
-1.723715
other
Na6Zn1H4S4O18
33
2
390.85
mp-1046467
14.297165
8.12658
-3.799606
other
Sr2Ca2P4W2O16
26
2
358.41
mp-754463
9.240331
4.771175
-8.322445
other
Na8Fe4P4C4O28
48
2
618.42
mp-768547
11.763906
8.716529
-8.144049
other
Li4Mn2V2P6O24
38
2
459.62
mp-1519242
10.127337
9.626429
3.514763
other
Sr2Pr2Eu2Nb2O12
20
2
303.09
mp-738686
8.322299
0.737448
-4.478454
other
Sb2H48C12N6Cl12
80
2
935.33
mp-648117
5.424552
3.245187
-4.510907
other
Si2Os3C12Cl6O12
35
2
717.93
mp-2224758
-3.51135
-0.881627
-5.405672
other
Rb4Mg1V2Ag2S8
17
2
503
mp-561283
10.22506
2.443491
-2.927177
other
Cd2Ga2H28O14F10
56
2
528.02
mp-2232522
14.568412
8.865191
-6.413324
other
Mg1V2P2O8F2
15
2
183.73
mp-1203292
8.37477
3.448796
-5.598737
other
Na2Co7H16C16O32
73
2
916.73
mp-697945
9.535211
5.79592
-4.211147
other
K4Cd2H8Se4O20
38
2
526.68
mp-1190203
10.201658
5.076166
-6.519268
other
Lu2Cu1Te2S2O14
21
2
301.86
mp-1522436
6.051723
8.547346
-0.274569
other
Ba2Sr2Eu2Bi2O12
20
2
331.17
mp-780729
12.030716
4.863964
-5.24085
other
Li2Mn2P6H16O26
52
2
519.07
mp-568107
7.816776
0.197093
-4.511686
other
Al2Ge4P2H48C16
72
2
820.54
mp-1100802
14.217701
5.410836
-7.498865
other
Zr8Mn1Cu2P12O48
71
2
1,046.35
mp-1203427
7.907632
0.157253
-4.521298
other
Zn3Si12H78C26O4
123
2
1,527.45
mp-541566
12.619214
4.19372
-3.06208
other
K2Mg1B12H20O30
65
2
619.11
mp-850985
13.932186
7.246962
-6.127758
other
Li4Fe4P8H4O28
48
2
528.43
mp-24654
12.012849
4.914079
-5.172796
other
K2Zn2P4H10O18
36
2
424.34
mp-1201531
8.809329
2.48413
-4.780887
other
Ca2H16C4N8O10
40
2
379.18
mp-695500
8.8941
11.421414
2.142831
other
Ca16La4Ti10Cr10O60
100
2
1,151.17
mp-1196993
1.298456
2.351178
-4.948139
other
Ga6Cu1Sb7Te8Cl24
46
2
1,507.07
mp-1199055
8.548552
2.061528
-4.489134
other
B2H12C4N10F8
36
2
396.52
mp-559754
5.804061
3.430279
-4.547468
other
Fe4Te4W2C20O20
50
2
1,009.62
mp-1222672
11.181419
11.15253
-3.864334
other
Li2Mg2Al2Mo6O24
36
2
515.8
mp-1221392
10.59612
4.605272
-4.19385
other
Na8Cr2H12Cl2O14
38
2
444.37
mp-648363
3.238359
2.880642
-4.242711
other
Sb2P6C2N6Cl30
46
2
1,564.63
mp-600256
8.740238
2.119052
-4.715054
other
Mn4H36C16N4O24
84
2
856.86
mp-560788
9.351181
2.367589
-4.42663
other
V2Ni1H24N8O10
45
2
413.12
mp-2229921
4.303365
2.827924
-3.948046
other
Mg1V2S4Br4N6
17
2
417.18
mp-560864
12.710497
6.688402
-6.682615
other
Sr4Zn4Ni4P8O32
52
2
635.64
mp-754235
13.525971
7.055951
-6.800236
other
Li4Mn4P8H4O28
48
2
537.55