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-1337078
7.605385
5.212972
-2.022115
other
Li2Sn2P2H2O10
18
2
219.62
mp-768551
13.440625
8.409412
-7.95385
other
Li6Mn2V2P6O24
40
2
485.7
mp-1196243
7.236287
0.157397
-3.932923
other
B32P4H96Rh4C28
164
2
1,660.52
mp-1198473
9.440401
6.031472
-4.208957
other
Na6U4H10Se8O36
64
2
916.31
mp-1046217
14.410946
7.752956
-3.831721
other
Sr2Ca2Ti2P4O16
26
2
342.45
mp-1519985
9.987222
11.139442
1.029281
other
Ba2Sr2Ca2W2O12
20
2
310.02
mp-745163
12.366806
7.406811
-6.867922
other
Mn2Cu5P4H2O18
31
2
340.13
mp-1201697
10.154473
3.277615
-4.201383
other
Sr4P4H40S12O20
80
2
1,000.33
mp-758686
11.440739
5.544291
-3.58051
other
Li2Mn6Al4H12O24
48
2
437.28
mp-1209891
9.176188
2.267687
-4.641868
other
P2H10C2N4O6
24
2
243.8
mp-2218562
12.208705
11.023264
-1.087709
other
Nd1Mg1Cu1W2O8
13
2
183.54
mp-1365096
9.534198
11.126326
2.753869
other
Ca3Nd4Nb6Fe2O28
43
2
584.72
mp-1222242
9.67837
7.617506
-5.117623
other
Mg1Al8Fe3P8O40
60
2
665.02
mp-1212525
2.242084
2.850362
-4.787632
other
H2Pb6Cl8O2F2
20
2
475.44
mp-684804
8.200756
2.870635
-2.466995
other
Mg2C4S4O4F12
26
2
394.33
mp-1196074
10.230113
4.271689
-4.631779
other
Zn1Fe2H28S4O30
65
2
633.53
mp-1196966
5.380599
3.315206
-3.979714
other
Li2B12S8Cl12O16
50
2
992.59
mp-780897
11.798417
6.20785
-6.381138
other
Li4Mn4P8H12O34
62
2
618.8
mp-1519269
5.978327
8.39662
-0.025082
other
Ba2Sr2Nd2Bi2O12
20
2
335.49
mp-707247
12.34733
5.223009
-5.494012
other
Na4Cu1P6H8O22
41
2
468.45
mp-1215919
9.416855
8.038672
-4.141789
other
Zn1Fe1As4Pb4O18
28
2
405.13
mp-726543
8.994319
3.358871
-5.429184
other
Na3Cr1H14C6O16
40
2
427.6
mp-560520
5.448872
3.540966
-4.451561
other
Fe6Te2C18S2O18
46
2
1,080.18
mp-780977
15.584915
6.213989
-2.076898
other
Li8Mn2Fe6B8O24
48
2
501.82
mp-698313
8.772817
3.599433
-6.07056
other
Rb4Cu2H8C8O20
42
2
532.32
mp-1190351
10.363277
5.042562
-6.555606
other
Tm2Cu1Te2S2O14
21
2
283.82
mp-1181494
9.697783
3.535042
-4.232981
other
H22C2S2O16F6
48
2
592.69
mp-2218188
10.114896
10.54554
-1.189026
other
Na2Mg1Cu2Te1O6
12
2
164.47
mp-655297
6.230331
5.266826
-4.563528
other
K2Pd1N2Cl2O4
11
2
214.42
mp-643776
9.71061
5.689633
-4.340286
other
Na2Zn1H4Se2O10
19
2
202.98
mp-1348763
7.605131
5.103459
-1.60064
other
Sr10Cu5Mo3W2O30
50
2
640.25
mp-1517564
9.478049
9.155571
3.678245
other
Ba2Ca2Ce2Zr2O12
20
2
308.62
mp-1201021
5.666058
3.484405
-4.606679
other
Fe6C18Se2S2O18
46
2
957.67
mp-780739
12.058889
4.682043
-4.842292
other
Ca8Fe4P8H32O48
100
2
970.62
mp-1199644
11.855302
4.929261
-5.310425
other
V3P6H14N3O24
50
2
518.47
mp-1224720
10.07772
5.068039
-4.350426
other
Na4V10Co1H44O52
111
2
1,138.71
mp-554195
7.726384
2.33248
-1.219405
other
Sb3As2S14I3F24
46
2
1,027.79
mp-850230
13.113877
8.18082
-1.186124
other
Mn9Zn6Si4Sb2O28
49
2
561.59
mp-697221
10.385686
4.255479
-5.796038
other
K4Fe2H8S4O20
38
2
465.91
mp-561026
10.274898
3.089761
-4.775378
other
Mn4H40S8N16O32
100
2
934.82
mp-1651352
9.125512
7.440144
-3.721131
other
Na12Co4Si4B4O28
52
2
621.21
mp-1523102
11.174939
10.418786
1.219106
other
Ba2Sr2Nd2W2O12
20
2
314.89
mp-783919
14.898229
7.777071
-5.70898
other
Li8Mn2Fe6P8O32
56
2
610.58
mp-1195346
8.324549
1.090894
-4.590951
other
Zn4H48C24Br14O12
102
2
1,431.88
mp-780522
12.296961
5.221471
-5.15985
other
Li2V2P6H16O26
52
2
520.37
mp-2233440
12.25431
11.079418
-1.13811
other
Y1Mg1Cu1W2O8
13
2
175.62
mp-697018
9.194571
7.340841
-5.280946
other
Sr2Zn2P4H4O16
28
2
421.03
mp-1201544
10.746039
3.832019
-4.558304
other
Zn3P6H30N6O26
71
2
688.99
mp-753770
8.977386
4.775808
-8.446394
other
Li4Fe2P2C2O14
24
2
270.39
mp-695873
11.433182
4.11936
-4.819941
other
Zn2P6H24N2O26
60
2
597.29
mp-743861
6.936331
12.150226
1.533759
other
Ca6La2Mn7Cr1O24
40
2
453.04
mp-1212413
4.831473
3.239094
-3.827426
other
Hg4C4N8Cl8O4
28
2
714.62
mp-1197636
12.140885
4.175378
-3.477975
other
B6P2H14N2O19
43
2
467.18
mp-1195146
10.241824
4.798952
-4.17979
other
Na4Ni1Mo6H38O40
89
2
936.49
mp-42392
9.329922
2.804744
-4.324077
other
Co1H22N7Cl4O8
42
2
413.56
mp-601292
13.027844
5.711715
-6.465421
other
Rb2Pr2P6H2O20
32
2
470.68
mp-1522522
10.881696
9.370893
2.945995
other
Ba2Ce2Eu2Nb2O12
20
2
326.82
mp-1520921
9.274761
9.108354
2.429027
other
Ba2Tb2Eu2Sb2O12
20
2
302.22
mp-1104343
8.27731
8.271103
-4.286922
other
Fe1Cu1As2Pb1O10
15
2
205.83
mp-1189360
7.612755
6.2762
-4.680298
other
Zr1P2N4O8F2
17
2
312.62
mp-759310
14.496003
7.883183
-6.66677
other
Li6Cr4P4O16F4
34
2
378.33
mp-532792
7.146965
11.978791
1.935459
other
K2Sr2La8Mn12O36
60
2
704.84
mp-1199399
7.87804
0.144534
-4.517119
other
Ti2Si14H96C32O4
148
2
1,808.32
mp-1203480
12.03815
7.114657
-7.139038
other
Rb7Dy1Fe6P8O34
56
2
852.74
mp-1204732
12.276353
4.522448
-3.347433
other
Ge6B2H8N2O16
34
2
381.16
mp-1522455
9.386026
9.122947
3.70575
other
Ba2Sr2Ce2Hf2O12
20
2
315.11
mp-1575580
9.725036
3.699235
-8.065293
other
K12Fe4P4C4O28
52
2
767.85
mp-1228207
7.172335
9.730914
1.04056
other
Ba6Pr2Y1Cu12O24
45
2
632.38
mp-695951
12.492826
6.113006
-6.177378
other
Li2Ag4P6H4O20
36
2
428.23
mp-1205040
8.393147
3.171119
-4.837748
other
Zn2H44C10N36O34
126
2
1,288.24
mp-1204397
10.245316
5.253485
-4.450735
other
K2Mg2V10H32O44
90
2
939.68
mp-707327
10.054694
3.039326
-3.958489
other
Na8Sn4H52Se12O26
102
2
1,357.28
mp-1046410
14.796134
7.98992
-4.686361
other
Sr2Mg2V2P4O16
26
2
328.94
mp-1179606
8.026202
1.345052
-4.411503
other
Sb4H12C4S8N4
32
2
622.96
mp-1203823
9.530476
3.736633
-4.926276
other
Re8H24C8S8O48
96
2
1,277.27
mp-1522124
10.161564
9.69089
3.497209
other
Ca2Tb2Eu2Nb2O12
20
2
278.37
mp-560244
12.792525
5.427273
-6.175285
other
Cs2Zn2B2P4O16
26
2
389.37
mp-1186971
13.020288
5.731611
-6.48199
other
Rb2Pr2P6H2O20
32
2
450.45
mp-1228251
9.762424
11.081928
1.261694
other
Ba8Sr1Ca3W4O24
40
2
629.66
mp-1199634
10.548878
3.847433
-4.276229
other
Na2Mg1H32S2O24
61
2
586.72
mp-849356
14.633531
7.646025
-6.577739
other
Li8Mn6Fe2P8O32
56
2
619.89
mp-1519927
7.350942
8.580896
-0.00962
other
Ba2Ca2Tb2Sn2O12
20
2
304.15
mp-1195125
10.323186
4.376875
-6.551901
other
Na10U2H6S8O38
64
2
838.85
mp-754533
14.054176
7.275139
-6.065867
other
Li4Fe4P8H4O28
48
2
590.83
mp-1235309
13.234762
6.706821
-0.476056
other
Li1Ho2Cu1Si4O12
20
2
250.1
mp-1191468
10.938181
4.049444
-4.942441
other
Np2P2H6C2O10
22
2
315.85
mp-1238553
11.884541
4.985806
-5.061378
other
Cs2Zn5P6H14O28
55
2
722.82
mp-746662
8.769909
2.008269
-4.450736
other
Ni1H44C12N10O16
83
2
716.75
mp-1200032
10.314949
4.720845
-4.129387
other
Na6Te1Mo6H44O46
103
2
1,073.32
mp-774554
11.586213
9.999699
2.862335
other
Li2Y14Ti14S14O35
79
2
1,177.02
mp-1200604
7.902561
0.298469
-4.497412
other
Si1P4H28C10Cl4
47
2
599.7
mp-23928
9.890313
2.95116
-3.943538
other
Rb2Mn2H8Cl6O4
22
2
380.68
mp-731160
5.553063
3.272916
-4.617759
other
H6Ru6Rh2C24O24
62
2
995.14
mp-1203476
10.261135
5.103587
-4.410191
other
Na4Li2V10H36O46
98
2
1,027.6
mp-1662988
14.36078
7.436851
-5.792409
other
Li4Co2Sn2P4O16
28
2
342.99
mp-753122
9.301602
6.920354
-3.533767
other
Sr2Cu1H2Se4O12
21
2
338.68
mp-1212408
11.281921
4.247258
-4.494766
other
Mn2Al4P4H40O32
82
2
696.79
mp-1190515
10.266259
5.260813
-6.321685
other
Gd2Cu1Te2S2O14
21
2
294.75
mp-1218727
8.100954
9.744931
1.5581
other
Sr2Pr1Cu3Pb2O8
16
2
241.88
mp-1196394
8.017329
0.488385
-4.554562
other
P8H76C24I28N4
140
2
2,667.08