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-1523099
9.800979
11.125094
1.067915
other
K4Ba4Pr4W4O24
40
48
640.92
mp-1520407
6.629482
9.589285
-1.893136
other
Na4Eu4Ni4Ge4O24
40
48
436.57
mp-1211939
14.03321
7.747792
-1.103804
other
Mn4Fe10Si16H4O48
82
58
984.86
mp-1202175
7.078457
5.723111
-3.756533
other
Cs4Ba2H12N4O24
46
58
730.67
mp-556298
9.302515
1.52462
-3.924489
other
Si2H24C4N4F12
46
58
444.13
mp-746670
9.310324
2.14109
-4.45215
other
Co4H88C12N24O32
160
58
1,322.87
mp-1199971
9.710691
3.455063
-4.453156
other
Rb8P4H16Se12O8
48
58
973.98
mp-510608
11.199711
7.111029
-4.579212
other
Zn4Cu4As4H4O20
36
58
457.07
mp-570137
8.362906
0.854207
-4.499642
other
Sn2H32C8Br12N4
58
58
911.64
mp-1197706
5.914532
2.417781
-3.937854
other
Te2H8C8N4Cl12
34
58
786.12
mp-1199614
9.854173
3.604924
-4.545985
other
Cs8P4H16Se12O8
48
58
1,067.94
mp-570712
8.315534
0.826371
-4.516044
other
Sn2H32C8N4Cl12
58
58
814.55
mp-561222
6.386524
5.599566
-4.19222
other
K4Hg2Br4N4O24
38
58
618.61
mp-624117
11.397557
11.600581
-3.238945
other
Cs6V8Te4Cl2O28
48
58
946.64
mp-1214792
13.791884
8.082993
-1.070242
other
Ba4Fe12Si16S4O44
80
58
997.03
mp-1221362
9.458623
7.836284
-5.632155
other
Na12Fe8P8O40F4
72
58
888.15
mp-1197292
14.210536
7.620058
-5.2894
other
Fe16P12H16N4O48
96
58
1,068.09
mp-562406
9.167953
2.049187
-4.262222
other
Co4H68N24Cl6O20
122
58
1,099.63
mp-1203619
8.246833
0.778775
-4.505857
other
Ti2H32C8N4Cl12
58
58
802.99
mp-758819
14.726711
8.814231
-6.373345
other
Li12V8P8O32F12
72
58
863.49
mp-867517
8.417381
0.976399
-4.350636
other
V8Sn16H96C32O36
188
58
2,390.85
mp-600156
9.207745
2.080422
-4.438247
other
H88Rh4C12N24O32
160
58
1,357.87
mp-698362
9.242238
2.056685
-4.457084
other
H88Ir4C12N24O32
160
58
1,363.22
mp-1203680
8.598552
2.748666
-5.016465
other
K4H20C12N8O20
64
58
770.34
mp-759148
11.680048
7.903854
-8.116224
other
Li12Mn8P8O32F12
72
58
858.07
mp-562762
9.609315
6.965734
-3.291855
other
Ba8Co4Se8Cl8O24
52
58
913.9
mp-694937
14.661398
8.46946
-6.12309
other
Na12V8P8O32F12
72
58
920.99
mp-641497
13.220555
7.719475
-6.718616
other
K4Fe4Co12P12O48
80
58
1,025.98
mp-1193781
7.539245
1.395961
-4.349258
other
Sn2H12C8S4N4
30
59
499.87
mp-561063
14.58171
7.707868
-5.212021
other
Ba2Fe4P4O14F4
28
59
389.79
mp-1048551
9.601862
7.482171
-2.902089
other
Y2Ni6Se4Cl2O16
30
59
442.49
mp-1048385
10.34215
7.176759
-4.068902
other
Y2Mn6Se4Cl2O16
30
59
476.22
mp-1048276
11.657383
8.680763
-2.091569
other
Y2Sb6Se4Cl2O16
30
59
560.55
mp-1048247
10.734841
7.421842
-2.808273
other
Y2Sn6Se4Cl2O16
30
59
564.36
mp-505104
9.234038
7.349867
-3.40399
other
Cu6Bi2Se4Cl2O16
30
59
458.8
mp-555517
9.533848
6.974471
-4.089297
other
Er2Cu6Se4Cl2O16
30
59
424.88
mp-581156
11.466969
8.896991
0.49748
other
Cs14U16V4Cl2O64
100
59
2,003.52
mp-628637
9.26048
7.26808
-3.501783
other
Cu6Bi2Se4Br2O16
30
59
464.73
mp-1048246
10.919098
8.088322
-2.442684
other
Y2Bi6Se4Cl2O16
30
59
588.09
mp-1048488
11.175246
7.820957
-3.315067
other
Y2Cr6Se4Cl2O16
30
59
463.91
mp-669425
9.189507
7.148226
-3.425083
other
Cu6Bi2Se4I2O16
30
59
473.14
mp-581370
9.524132
7.050396
-3.947701
other
Y2Cu6Se4Cl2O16
30
59
430.61
mp-1048555
9.508601
7.030083
-3.790572
other
Y2Co6Se4Cl2O16
30
59
447.43
mp-572807
9.480192
7.146298
-3.780365
other
Nd2Cu6Se4Cl2O16
30
59
449.84
mp-1191088
5.560394
3.572584
-3.860683
other
Rh2C8N2Cl8O4
24
59
502.04
mp-1045571
9.122924
7.358472
-3.024058
other
Al2Ni6Se4Cl2O16
30
59
432.41
mp-1048596
11.563405
8.755059
-2.495459
other
Y2Fe6Se4Cl2O16
30
59
457.55
mp-1048242
10.984307
8.110717
-2.574804
other
Al2Bi6Se4Cl2O16
30
59
546.33
mp-1197782
11.840097
7.305108
-4.055075
other
K6V10Te8H16O48
88
59
1,187.43
mp-556839
8.671687
3.806224
-7.034974
other
Ca2Bi2C2O8F2
16
59
211.65
mp-772968
12.432792
5.829495
-6.020865
other
Li2Tl2P2H2O6
14
5
204.86
mp-1233426
13.66636
7.940394
-0.804177
other
Ba2Ca1V2Si4O14
23
5
321.02
mp-1234870
10.507094
9.998347
1.694976
other
Sr4Ca1Mn2Ga2O10
19
5
291.61
mp-863752
7.837972
6.493525
-3.312213
other
K2Zn1H4I4O14
25
5
368.31
mp-720196
12.280741
7.538417
-5.654525
other
Mn4Fe2Ag4P6O24
40
5
609.64
mp-1222510
6.806482
16.992901
-0.905264
other
Li3Mn1Co1Ni1O6
12
5
108.12
mp-2232997
8.583624
6.070477
-6.050921
other
Mg1Cu2Ag1S2O10
16
5
209.69
mp-2229308
-3.534436
-0.884676
-5.414618
other
Rb4Mg1V2Ag2S8
17
5
508
mp-695170
12.215024
7.203949
0.468687
other
Nd3Al3Si3N2O12
23
5
274.97
mp-2216232
8.3459
10.049909
-3.586036
other
Mg1Cr4Hg4H4O18
31
5
457.24
mp-1233277
11.726783
11.130446
-1.326206
other
Rb2Pr2Mg1W4O16
25
5
356.46
mp-1173241
6.068364
11.27732
0.617746
other
Sr6La14Ga2Co18O60
100
5
1,175.33
mp-1173616
10.50392
9.429208
-1.901453
other
Nd10Te14W2Cl6O46
78
5
1,315.86
mp-1222056
13.121834
7.832489
-7.18679
other
Mn4Fe2Ag4P6O24
40
5
478.14
mp-1176694
10.139606
4.41723
-5.07472
other
Li4Mn4H32S8O48
96
5
1,042.3
mp-1221230
10.215866
11.440363
3.264785
other
Na3La1Ti2Nb2O12
20
5
246.43
mp-1178101
12.950571
6.480237
-0.495093
other
Li10Sc9Fe1Si20O60
100
5
1,139.11
mp-1228555
8.202484
10.047702
2.080248
other
Ba2Ca1Er3Ni2O10
18
5
245.14
mp-722022
4.623828
3.024237
-3.902752
other
Bi2C8S4Cl6O4
24
5
673.31
mp-1218355
7.848026
11.495902
1.996522
original
Sr2Ca2Mn2Ga2O10
18
5
239.62
mp-1176382
13.771031
6.448561
-6.287335
other
Na4Li2Cu2P4O14
26
5
339.25
mp-1235330
11.370852
11.267766
-1.558686
other
Rb2Li1Nd2W4O16
25
5
350.51
mp-1224676
10.46573
4.23121
-5.40693
other
K4Mg2H16S4O24
50
5
632.01
mp-774824
11.470667
12.451981
-3.263541
other
Li2Mn1V4Cu1O12
20
5
260.69
mp-774311
13.40292
8.402215
-7.933264
other
Li12Mn4V4P12O48
80
5
947.85
mp-1221930
13.411853
7.761778
-0.924576
other
Mn9Al8Fe3Si12O48
80
5
805.97
mp-1233274
-4.695883
-6.210745
1.064119
other
Rb2Ba8Ca1Sb6O2
19
5
728.86
mp-2232045
12.005672
12.650673
-2.580096
other
Mg1Ti1V4Co1O12
19
5
242.43
mp-2229431
-3.785052
-0.95703
-5.414978
other
Rb4Mg1V2Cu2S8
17
5
448.97
mp-743986
9.238865
3.324608
-5.497757
other
Cs1V1H12C4O14
32
5
354.78
mp-757760
12.531321
7.923839
-8.059039
other
Li4Mn4Co2P6O24
40
5
467.64
mp-1202494
10.308511
7.165952
-2.205999
other
Mg9Si10Pb8C3O48
78
5
1,118.43
mp-759398
14.775969
8.627441
-6.054946
other
Li4V4Cu2P6O24
40
5
475.62
mp-2218981
10.537277
4.488515
-6.639979
other
Na1Mg1Fe1S2O8
13
5
192.71
mp-1173772
11.409408
7.483123
-7.493491
other
Na4Ca1Fe4P6O24
39
5
463.24
mp-2228706
-2.862286
-1.203481
-5.523
other
Rb4Mg1Mo2S4O4
15
5
424.34
mp-675944
8.516469
2.542382
-4.9408
other
Er1H9C5N2O8
25
5
252.84
mp-1234529
10.156781
8.895741
-1.780546
other
Mg1Te4Pb6Br4O12
27
5
573.45
mp-1173622
10.474239
9.484548
-1.939912
other
Pr10Te14Mo2Cl6O46
78
5
1,331
mp-2215947
11.322412
10.734916
-1.771346
other
Mg1V2Bi2Pb2O10
17
5
292.41
mp-1221167
12.696881
6.126021
-0.710518
other
Na4Zn1Cd1Si4O12
22
5
300.91
mp-1233363
11.501336
11.162538
-2.889622
other
K2Sm2Mg1Mo4O16
25
5
349.75
mp-1219841
3.119372
3.181717
-4.014109
other
Ru2Au2N10Cl12O1
27
5
689.92
mp-1233069
14.683777
8.623979
-5.241671
other
Mg1V4Sb2P6O24
37
5
498.85
mp-1222247
12.8503
7.135655
-0.547849
other
Mg9Al8Fe3Si12O48
80
5
779.23
mp-2231994
12.152087
12.609139
-2.326439
other
Mg1Ti1Mn1V4O12
19
5
250.56
mp-1221138
8.328492
3.389004
-5.745163
other
Na2Co2H6C6O12
28
5
379.32
mp-1197775
10.947417
3.860387
-4.91617
other
Na6P6H10N6O14
42
5
462.09
mp-1223587
11.421495
11.076359
-3.850211
other
K2Ba2Gd2Mo6O24
36
5
570.84
mp-850191
12.011189
7.215287
-1.838066
other
Na1Li1Fe2Si4O12
20
5
220.42