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-723480
11.2128
4.969929
-4.933404
other
Ba2Zn6P8H28O36
80
15
907.45
mp-1238470
8.115722
1.543429
-4.462852
other
H16C4S4I4N8
36
15
558.23
mp-1176955
14.107592
8.490477
-7.273166
other
Li12Mn2V6P12O48
80
15
823.94
mp-1019787
13.770774
4.212601
-2.154745
other
K8Na4Zn4B20O40
76
15
1,021.92
mp-1204067
9.221292
7.6267
-5.37837
other
Al4Co2P6N2O28
42
15
568.92
mp-738684
8.525471
3.316733
-5.772505
other
K10Y2H16C16O32
76
15
1,038.56
mp-1194644
10.564915
4.663651
-6.793094
other
K8Fe8S8O32F8
64
15
872.23
mp-1211850
11.307853
11.108991
-3.837943
other
K2Li2Gd4Mo8O32
48
15
670.89
mp-17711
10.791475
12.161328
-3.401193
other
Ba2Na4V4Cu2O16
28
15
393.82
mp-1201519
10.038225
9.407903
3.246443
other
K4Na4Nd8Nb4O26
46
15
710.97
mp-728443
8.191243
3.242505
-3.038657
other
Rb4C12S8O16F24
64
15
1,104.48
mp-1194948
12.73983
6.91248
-5.525981
other
Ba4Cu4Te4P4O26
42
15
609.23
mp-707940
10.057631
2.344271
-2.629676
other
Zr2Cd4H24O12F16
58
15
582.13
mp-866612
8.047802
0.608308
-4.640554
other
Cs2As2H12C4Se4
24
15
450.96
mp-1204670
8.003325
1.550629
-4.426274
other
H16C4S4I4N8
36
15
755.95
mp-1196240
8.006962
0.204084
-4.533452
other
U2Si16H112C32N8
170
15
2,044.57
mp-581641
9.35342
0.653085
0.657749
other
Ba4Ca2Fe4Cu2F28
40
15
577.18
mp-1211416
11.63584
7.051405
-4.393444
other
K2Mg6Cu2As6O24
40
15
482.86
mp-1195584
8.470304
2.359643
-4.874745
other
Mn2H16C8N4O12
42
15
464.43
mp-638469
8.142636
3.517628
-3.651217
other
Ba2C4S4O12F12
34
15
525.24
mp-1214705
9.203665
1.047028
1.301199
other
Ba4Mn2Al4Cu2F28
40
15
532.72
mp-667424
5.946133
3.297793
-4.542275
other
P8Os16C60O52F24
160
15
2,718.17
mp-829755
13.224639
8.386497
-7.819504
other
Li12Mn4V4P12O48
80
15
831.5
mp-1226442
9.694421
1.710248
-0.286627
other
Cs8V4H8O8F16
44
15
747.09
mp-1352809
10.066757
10.888393
2.259297
other
Ba2La8Ti2Cr8O30
50
15
618.93
mp-699398
9.506259
2.125716
0.27747
other
Cs2Mn2Mo2O6F6
18
15
312.66
mp-1200960
10.07769
9.41645
3.244902
other
K4Na4Sm8Nb4O26
46
15
710.1
mp-695927
9.75837
4.344676
-4.20725
other
Ca4Al2H20Cl2O16
44
15
579.37
mp-698350
8.964234
3.460567
-5.727448
other
Na12Al4H40C24O68
148
15
1,654.38
mp-532789
9.621511
9.385965
0.622307
other
Li12Nd12Sb2Te6O48
80
15
1,033
mp-1213616
13.314778
6.405838
-5.034411
other
K8P8H12W2O28
58
15
874.8
mp-1192422
8.533322
3.308403
-5.906109
other
K2Mn2H6C6O12
28
15
373.98
mp-1214779
9.444406
0.775941
0.974603
other
Ba4Ca2Mn2Fe4F28
40
15
584.35
mp-1205119
11.641062
5.808995
-2.639341
other
Ba6Na2Si4B14O40
66
15
788.44
mp-1045836
9.429928
0.63983
0.573928
other
Ba4Mg2Fe4Cu2F28
40
15
553.03
mp-780879
13.866076
7.370181
-6.711546
other
Li2Mn6P6H4O24
42
15
461.45
mp-1359492
8.488049
1.353662
0.98398
other
Ba4Zn2Cu2Bi4F28
40
15
633.67
mp-680381
9.97475
9.415634
3.208609
other
K4Na4Gd8Nb4O26
46
15
694.12
mp-1198353
6.053099
4.108074
-4.352887
other
Li4C6S2N12O14
38
15
570.48
mp-778976
11.89623
4.922025
-5.160154
other
Li2V2P8H24O36
72
15
718.33
mp-1195934
9.60151
6.460309
-3.789911
other
Na4Zn6H8Se8O28
54
15
795.69
mp-1195019
11.493726
11.069843
-3.851007
other
Rb4Th6Mg2Mo16O64
92
15
1,674.79
mp-1202028
9.242544
2.829803
-4.423081
other
Mg2H24C8S8O12
54
15
676.62
mp-630880
11.482008
11.156433
-3.772516
other
Li2Nd4Tl2Mo8O32
48
15
708.03
mp-1203091
9.734818
2.323707
-4.424662
other
Ca2P4H16C4O12
38
15
408.26
mp-622000
6.602965
5.020306
-4.58446
other
Cs6Sb4N6O18F12
46
15
859.25
mp-1019774
13.099037
6.437103
-0.385591
other
K8Ce4Al4Si16O48
80
15
1,275.59
mp-778901
14.806557
7.91006
-5.333758
other
Li2Cr6P6H4O24
42
15
462.81
mp-1202257
11.716089
5.821611
-6.015124
other
Fe2B4P4H6O24
40
15
377.94
mp-1210392
13.095057
7.521159
-7.096444
other
Na4Zn2Fe4P6O24
40
15
452.4
mp-1196234
8.387436
0.882563
-4.44505
other
Fe6H32C8Se8N8
62
15
659.39
mp-1200013
13.751316
4.146379
-2.141329
other
Rb36Mg12B58O116F2
224
15
3,532.39
mp-866783
8.916769
2.183799
-4.657258
other
Fe2H12C4N4O8
30
15
356.08
mp-698349
8.307916
1.686416
-4.615616
other
Cd2H12C8S8O4
34
15
474.09
mp-23839
9.735381
2.047304
-0.010871
other
K4V2H4O2F10
22
15
319.14
mp-1204716
8.140347
1.050232
-4.501387
other
Sn2H24C12S8N4
50
15
663.16
mp-973694
8.262307
0.866964
-4.492856
other
H16Pd2C4N2Cl6
30
15
369
mp-1200221
8.793409
2.805019
-5.076863
other
Nd4H44C20N12O42
122
15
1,248.61
mp-1200888
12.969789
5.866006
-5.747038
other
Ca4V2P6H8O26
46
15
511.98
mp-1360674
9.002865
1.670609
1.39609
other
Ba4Mg2Ti4Cu2F28
40
15
568.04
mp-1195040
8.112784
1.025743
-4.501515
other
Cd4H56C20N12Cl12
104
15
1,299.11
mp-758453
10.894861
3.806899
-4.897914
other
Na8P8H16N8O20
60
15
666.68
mp-1045711
8.682266
1.647578
0.869229
other
Ba4Zn2Cu2Sb4F28
40
15
629.5
mp-1210544
12.957245
7.595662
-7.209913
other
Na4Fe4Ni2P6O24
40
15
448.36
mp-1197494
14.251789
7.587054
-6.677763
other
Cs4V4P12H4O40
64
15
940.41
mp-730292
8.734577
7.72655
-4.623894
other
Zn8P10C4N12O40
74
15
1,155.95
mp-758675
9.176669
2.77765
-4.653013
other
Te2H28C4N8O16
58
15
524.76
mp-560843
8.855311
3.711084
-7.306255
other
Na8Zr4Ti2C8O32
54
15
630.04
mp-1205442
11.188553
7.606935
-2.241266
other
Zn2Bi12P4O28F4
50
15
748.91
mp-1195781
8.702973
1.247462
-4.336197
other
Mn2Sb4H16S8N8
38
15
550.22
mp-706912
9.856637
4.436359
-6.165357
other
K4H2S4N2O12
24
15
358.57
mp-1210694
10.447111
7.447694
-1.976037
other
Mg4Al8Si4H4O28
48
15
467.96
mp-1195392
11.159005
4.774928
-3.776767
other
Na20Er4H24W4O40
92
15
1,139.62
mp-1197871
11.841184
7.504412
-7.500585
other
Na4Fe2Ni4P6O24
40
15
438.55
mp-1192726
12.466637
5.036482
-2.597145
other
Na2Li2Si4H8O14
30
15
312.13
mp-555485
12.815132
6.247279
-0.414092
other
Rb8Gd4Ga4Si16O48
80
15
1,275.01
mp-707323
8.042514
3.63345
-4.843587
other
La2H32C4N22O34
94
15
1,068.55
mp-42175
10.913496
3.973668
-3.815652
other
Ca4Al2H20Cl2O16
44
15
458.77
mp-1197500
13.464489
4.323195
-2.490373
other
Ba6Li4B20H12O44
86
15
875.43
mp-23835
8.063668
1.511334
-4.408311
other
Hg2H24C4Br8N12
50
15
753.02
mp-720494
11.809769
4.954776
-5.038032
other
K8Te2P8H20O40
78
15
989.15
mp-1213385
8.482795
2.494931
-4.938288
other
Cu4H10C6N6O10
36
15
391.11
mp-1194897
8.709636
3.550324
-7.095801
other
Na8Lu4C8O24F4
48
15
571.9
mp-1215028
11.219255
3.544732
-4.782257
other
Al4P6H24N6O24
64
15
581.79
mp-1179382
4.717301
2.874419
-3.669751
other
Te2C8S8N16Cl4
38
15
1,001.88
mp-721072
11.22159
7.511821
-4.590715
other
Cu6As4H4Pb2O20
36
15
421.88
mp-1045884
9.083202
1.999723
1.364362
other
Ba4Ca2Cu2Mo4F28
40
15
616.79
mp-707511
9.732681
6.089338
-5.699973
other
K2Er2P8H8O36
56
15
798.15
mp-1189612
9.660667
4.862925
-6.665021
other
Na2Cu2S2O8F2
16
15
202.15
mp-1045850
9.275237
0.617744
0.624406
other
Ba4Ca2Mn4Cu2F28
40
15
572.45
mp-1194934
8.152184
1.475097
-4.225909
other
Ag4H24C4S4N12
48
15
653.61
mp-1105952
10.480123
4.597091
-6.789907
other
Na4Fe4S4O16F4
32
15
401.26
mp-1195665
13.119373
5.746163
-6.382497
other
Na2Mg6P6H4O24
42
15
418.62
mp-1197528
8.099889
0.643222
-4.381569
other
Li16Si8H144C48N32
248
15
2,533.53
mp-1191376
4.299486
3.115441
-3.854021
other
Te2C4S4N8Cl4
22
15
552.08
mp-1214380
11.590242
11.12411
-3.426358
other
Ba2Li2Gd4Mo8O32
48
15
664.91
mp-735029
8.929354
2.548992
-4.820101
other
Ni2H20C4N8O12
46
15
401.17
mp-740757
11.460234
4.390422
-4.806201
other
Mg4Cu4P4H24O30
66
15
600.92
mp-1204303
6.237689
5.078511
-4.553199
other
Cs4K4Pd4N16O50
78
15
1,400.35
mp-1195170
9.338036
7.331437
-3.286812
other
Ni10H4Se12Cl8O32
66
15
1,014.26