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-774927
10.564765
3.962564
-5.73869
other
Nd4H16S8N4O32
64
14
706.36
mp-707052
9.469076
2.391294
-4.279884
other
Cu4H48Se4N16O16
88
14
949.54
mp-632685
9.578842
2.88738
-4.093615
other
Na4H16C4N4O8
36
14
449.24
mp-1237296
10.450048
4.301654
-6.26876
other
K4Dy4H8S8O36
60
14
794.91
mp-766624
9.541992
3.626504
-8.404725
other
Li12Fe4P4C4O28
52
14
539.64
mp-601342
9.169393
5.081399
-4.08351
other
Na8Te2H20Se4O32
66
14
789.19
mp-694940
12.788782
6.617626
-7.470376
other
Mn2Al4Sb4P12O48
70
14
895.7
mp-1182443
11.011986
5.220049
-4.680827
other
Fe4Co2As4H20O28
58
14
580.5
mp-1212590
14.088129
7.508101
-3.760329
other
Pr8P12H20W4O36
80
14
1,088.65
mp-1202607
9.647991
3.749954
-5.564422
other
La4H16C8S4O32
64
14
722.18
mp-1199438
11.953507
7.563289
-7.268589
other
Na4Fe4P8O24F8
48
14
616.54
mp-707478
5.586745
3.192812
-4.629879
other
H24Os20Pt4C64O64
176
14
2,907.8
mp-652791
5.213313
3.470631
-4.221403
other
Re8Sn4C40Cl8O40
100
14
2,566.42
mp-1237097
8.086958
2.506941
-1.296014
other
Be4Ni2N4O12F16
38
14
500.9
mp-1194587
13.245497
5.081707
-2.567403
other
Na4Y4B4Te2O20
34
14
425.14
mp-556195
11.679341
7.11794
-4.99629
other
Na8Al4B4As16O56
88
14
1,100.95
mp-1202034
11.167427
3.604007
-4.624627
other
Be12As8H40N8O40
108
14
972.82
mp-667366
5.723284
3.340526
-4.666194
other
P4Ru20C64O60F12
160
14
2,621.7
mp-779015
6.738532
6.208265
-3.758429
other
Sm4H4I4Cl4O52
68
14
1,065.42
mp-1193434
3.985345
2.223844
-3.124222
other
Cs4Pt2C8I4N8
26
14
730.47
mp-1238731
9.769532
4.908676
-4.234779
other
K4Co2H24Se4O28
62
14
855.76
mp-1177930
12.994625
6.195591
-6.27507
other
Li8Mn8P12H12O48
88
14
1,130.46
mp-707986
10.457619
4.261299
-6.674891
other
K8Pr8H12S16O72
116
14
1,629.09
mp-24197
10.471833
4.072286
-5.008465
other
Rb4Cu2H24S4O28
62
14
707.41
mp-1197209
8.260851
0.690564
-4.521214
other
Hg4H80C24N8Cl16
132
14
1,752.91
mp-600154
8.997179
3.496349
-5.632738
other
K4Cu2H16C8O24
54
14
633.6
mp-1196566
9.998354
5.12512
-4.378879
other
Tl8Te4H24Se4O40
80
14
1,101.92
mp-1181908
10.278535
3.744593
-4.397757
other
Ni2H40Se4N4O28
78
14
754.88
mp-699557
12.831776
8.622014
-5.95033
other
Cs4K4Mo16P24O104
152
14
2,383.01
mp-1196465
8.278479
6.637809
-5.313169
other
K8Zr4S8O40F8
68
14
1,095.45
mp-569533
8.161395
0.613789
-4.487374
other
Hg4H40C12I12N4
72
14
1,322.29
mp-1238504
8.121611
2.983746
-1.695894
other
Be4Tl4Co2O12F16
38
14
538.31
mp-1201655
12.04634
5.338818
-3.400628
other
Ca4Cu4Ge4H8O20
40
14
461.77
mp-707734
10.382832
7.409328
-2.2111
other
As4H4Pb16Cl16O16
56
14
1,212.58
mp-1197145
7.816204
1.883365
-4.468278
other
Hg2H12C8N8O4
34
14
403.26
mp-735484
10.304009
2.770113
-4.362555
other
Cr4P8H68N16O36
132
14
1,229.5
mp-721552
9.332669
4.842031
-4.424088
other
Rb8Te4H24S4O40
80
14
1,269.82
mp-648140
3.122629
3.095811
-4.602826
other
Na8Al8S12Cl32O24
84
14
2,090.37
mp-601344
9.796625
2.002653
-3.255769
other
Li4Zr12H72N16F76
180
14
1,853.58
mp-1201938
9.987031
3.134811
-4.470679
other
Al4H84C12S12O60
172
14
1,745.92
mp-555133
7.930732
2.459418
-1.876755
other
As4C8N4O8F24
48
14
723.95
mp-510571
13.270039
6.111722
-4.837543
other
Ba4Np4P4H8O28
48
14
646.37
mp-1204872
8.894337
3.478705
-5.693906
other
Zr4H32Pb4C24O64
128
14
1,432.11
mp-1207872
8.245011
2.899263
-4.761566
other
V2H8C8O12F2
32
14
355.5
mp-1221283
8.753098
3.586348
-7.160775
other
Na12Y4C8O24F8
56
14
716.71
mp-1211234
10.349082
4.289898
-5.771444
other
Rb8Cd12H40S16O84
160
14
2,005.48
mp-559455
7.840886
2.848785
-2.338908
other
C16S8N8Cl16F40
88
14
1,667.03
mp-1197490
5.931214
3.409743
-4.733164
other
K4Fe12H4C44O44
108
14
1,786.98
mp-8796
13.700643
4.441991
-1.7542
other
Sr8Li4Sc4B16O40
72
14
831.03
mp-651750
5.693717
3.352714
-4.548906
other
In8Re16C80Br8O80
192
14
3,643.97
mp-570105
4.051236
2.247178
-3.177693
other
K4Pt2C8I4N8
26
14
609.33
mp-1200181
-3.054469
-1.06721
-4.715364
other
Cu8As36P12S36I8
100
14
2,882.33
mp-1198651
12.513186
4.228275
-3.229961
other
Ce4B20H28N4O60
116
14
1,122.75
mp-705895
12.716749
6.349115
-7.58315
other
Ba2Nb4Fe4P12O48
70
14
1,014.53
mp-24824
8.361018
0.763484
-4.454021
other
Mn4H64C16Br16N8
108
14
1,528.16
mp-744689
9.084559
2.284081
-4.554684
other
Co4H72C24S4O40
144
14
1,538.16
mp-766705
9.337267
3.719507
-8.477283
other
Li12Co4P4C4O28
52
14
530.97
mp-1195995
8.46196
0.88271
-4.429714
other
Co4H48C8Br16N8
84
14
1,268.2
mp-559096
10.264606
4.447357
-4.991467
other
Rb8Te4H24S4O40
80
14
1,041.5
mp-1211657
8.641879
2.683762
-5.071608
other
Mn4H28C16N12O28
88
14
912.75
mp-1195435
13.257945
5.045583
-2.766012
other
Na4Er4B4Te2O20
34
14
415.31
mp-24220
10.670674
4.166471
-5.020457
other
Cs4Fe2H24S4O28
62
14
759.78
mp-1201779
10.353141
9.459888
-2.032181
other
Ba8V4Te16H4O52
84
14
1,376.32
mp-23881
11.07886
4.647631
-4.999014
other
Fe8P8H36N4O44
100
14
951.81
mp-764838
11.934044
4.8834
-5.121504
other
K8Co4P16H40O68
136
14
1,610.22
mp-1192990
5.001301
3.311066
-3.985788
other
C8Se4N4Cl4O8
28
14
784.46
mp-1179981
3.68712
3.436847
-3.939128
other
Pd4Rh4N20Cl20O4
52
14
1,365.48
mp-1204603
7.792681
0.108274
-4.52367
other
Si40Bi4Te8H292C100
444
14
6,015.87
mp-1255268
13.020898
6.806541
-0.871935
other
Ce4Be4Si4H4O20
36
14
388.28
mp-1204833
2.836765
3.255266
-4.465809
other
Rb8Ru4N4Cl20O12
48
14
1,254.3
mp-686671
13.208869
7.099381
-1.15311
other
Ce4Be4Si4H4O20
36
14
356.49
mp-759026
11.148177
7.008849
-6.827967
other
Li4Mn12P8H16O48
88
14
903.4
mp-1182476
9.482471
5.165228
-4.170165
other
Na8Te2H20Se4O32
66
14
800.25
mp-1237531
14.133257
7.791854
-3.418108
other
Pr8P12H20W4O36
80
14
1,027.06
mp-558352
8.388176
2.711293
0.080019
other
K4W4N4Cl4F20
36
14
719.4
mp-766474
9.400556
1.502965
-0.955629
other
Sr8Fe4C4O12F20
48
14
674.58
mp-1199891
9.563231
3.223507
-4.562309
other
K8P4H16S12O8
48
14
839.36
mp-1179670
8.552436
1.076087
-4.431462
other
Sb4H48C16N4F16
88
14
1,022.01
mp-1203140
10.278135
6.333372
-5.364581
other
K4Yb4P8H16O36
68
14
890.63
mp-561736
10.937738
3.706595
-4.530143
other
Co4P12H48N4O28
96
14
1,000.9
mp-1220926
11.428726
11.150421
-3.883194
other
Rb12Na12Sc8Mo24O96
152
14
2,655.07
mp-1182214
4.475595
3.135473
-3.609321
other
Cd2C4S4N16Cl4
30
14
851.77
mp-1203496
8.701394
1.773076
-4.566642
other
U4H48C16S12O32
112
14
1,309.35
mp-1204071
8.941986
0.934934
1.454471
other
Ba4Na4Sr2Al8F40
58
14
787.56
mp-696420
7.95007
1.655668
-4.313291
other
Zn2H16C4S4N12
38
14
460.43
mp-1181838
8.77009
2.491396
-4.746271
other
Cu2H28C8N8O16
62
14
597.24
mp-1212483
6.851945
5.4069
-4.33738
other
Hg16P4H4N4O28
56
14
985.81
mp-737625
11.279722
7.856467
-3.917215
other
K4Sb4As4O16F8
36
14
613.24
mp-510517
13.237288
6.648341
-5.502523
other
Fe8P4H8C4O28
52
14
568.01
mp-760057
14.289466
7.902995
-5.851108
other
Na8Li4V4P4O24
44
14
560.08
mp-1179820
9.930373
5.002728
-4.445122
other
Rb8Te4H24Se4O40
80
14
1,088.33
mp-1238512
8.044568
5.068403
-4.5548
other
Cu2H12S4N4O16
38
14
550.32
mp-560182
8.303288
1.203038
-4.518055
other
Ag4H44C16S12O12
88
14
1,051.41
mp-561521
8.885063
1.270221
-4.387269
other
P4H32C8N4O8
56
14
498.08
mp-1237757
11.424911
5.6707
-4.495764
other
Sc4As8H16N4O28
60
14
821.39
mp-820860
5.109948
3.717575
-4.123484
other
Mn4Fe2C12N12O16
46
14
727.77
mp-558770
7.630117
2.479571
-1.605496
other
Ni2As4S12N12F36
66
14
1,164.77
mp-1213436
8.107228
2.086327
-4.752018
other
Fe2H24C8N36O8
78
14
816.93
mp-1202721
8.396015
2.772276
-4.742376
other
Ag4H24C8N20O16
72
14
794.32
mp-23146
10.331242
4.686708
-6.786907
other
Tl4Zn4S4Cl4O16
32
14
601.26