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-698293
8.901271
2.73675
-5.047245
other
V2P2H12C4N6O14
40
2
416.5
mp-1223295
9.049375
1.843382
-0.008364
other
Li2Mg1Zr2H4O4F12
25
2
309.78
mp-1183871
12.500194
6.038561
-6.139392
other
Co2B2P4H2Pb2O18
30
2
347.59
mp-760236
14.356177
8.512345
-7.208579
other
Li6V3Cr3P6O24F6
48
2
541.94
mp-1205165
8.255572
5.336469
-4.193938
other
Na2Zn8H12S2Cl2O32
58
2
773.46
mp-1248208
13.049027
6.590342
-0.94532
other
Na6Ca6Zr4Si8O30F6
60
2
890.9
mp-849539
13.227051
7.801804
-7.260574
other
Li4Mn2V2P4H4O20
36
2
370.57
mp-1201788
8.734569
3.435492
-6.085104
other
Na2U2Co1H8C12O28
53
2
602.48
mp-1263007
12.224182
5.455095
-2.755059
other
Ca4Mn2Fe2Si8H10O30
56
2
687.86
mp-764581
13.623266
8.55228
-7.581844
other
Li6V3Fe3P6O24F6
48
2
547.99
mp-729907
8.370564
1.210211
-4.49213
other
Ni1H48C16S8N2O14
89
2
992.26
mp-1233018
13.040265
7.798949
-7.243178
other
Mg1Mn1V1P2H2O10
17
2
182.71
mp-1204279
7.749955
0.168136
-4.512864
other
Si16Te8H176Pd8C64Cl16
288
2
4,057.36
mp-1234851
10.325629
1.838151
-1.244832
other
Mg1Al2H4Pb2O4F6
19
2
251.8
mp-697077
8.662263
2.349892
-1.999315
other
As2H6C2N2O2F18
32
2
385.66
mp-776446
13.655563
8.5206
-7.943015
other
Li6Mn3V3P6O24F6
48
2
550.89
mp-772727
9.58826
3.589337
-8.692137
other
Na2Li10Mn4P4C4O28
52
2
578.02
mp-776506
13.218819
7.79844
-7.285433
other
Li6Mn3V3P6H6O30
54
2
554.53
mp-1204548
12.051245
4.945277
-5.053468
other
Ca8Al4P4H20O26F16
78
2
827.17
mp-1201380
9.41535
3.333545
-4.010687
other
V1H17C4S4O20F12
58
2
737.75
mp-554977
8.825644
1.346392
-4.412159
other
B4H20C4N2Cl2O6
38
2
396.92
mp-603946
8.702033
1.966717
-4.447048
other
Ag2Mo8H44C16N6O30
106
2
1,126.31
mp-1197228
10.80336
3.511186
-4.541523
other
Ni2P8H36C4N4O30
84
2
788.96
mp-764571
13.618981
8.553432
-7.579572
other
Li4V2Fe2P4O16F4
32
2
367.42
mp-1195110
8.600245
1.950793
-4.587152
other
Na2Fe2H44C20N4O24
96
2
1,007.65
mp-23809
13.166371
5.171995
-6.058275
other
Rb2Sc2B2P4H2O18
30
2
370.58
mp-1233873
12.825952
7.568956
-6.184443
other
K2Mg1Fe4P6O16F12
41
2
587.3
mp-1212031
10.819717
4.196685
-7.224253
other
K2Ca2Mg1H2S4O16
27
2
365.42
mp-1197622
10.943578
3.778727
-4.86665
other
Na4Tl2P6H14N6O16
48
2
550.08
mp-849542
13.231289
7.805974
-7.261159
other
Li4Mn2V2P4H4O20
36
2
371.46
mp-744242
9.623457
4.875524
-4.200827
other
Na4Te1Mo6H40N2O40
93
2
1,116.42
mp-541794
12.274289
6.262364
-6.663728
other
K2Fe2B2P4H2O18
30
2
344.2
mp-1199767
7.762931
1.500782
-4.338138
other
Mg1B2H42C26N14O6
91
2
1,170.96
mp-1196797
6.012554
3.503512
-3.897217
other
Ag2As2S32N32O16F12
96
2
1,731.17
mp-24827
13.877796
6.986039
-6.037883
other
K4V4B4P8H4O36
60
2
720.63
mp-1200478
8.681083
2.097493
-4.583984
other
As2H18C4S2N8O8
42
2
474.72
mp-693605
13.295076
7.115871
-0.853611
other
Na6Mg8Cr2Si16O44F4
80
2
957.01
mp-1214713
12.788415
6.606812
-2.06851
other
Ba4Ti2Mn4Si4P2O26
42
2
580.75
mp-1227427
12.390624
5.044254
-5.453347
other
Ca6Mg2Zn1P6H12O30
57
2
577.6
mp-624009
5.884572
3.417287
-4.607669
other
Fe4Te2W2C20Se2O20
50
2
900.7
mp-697033
8.425539
1.83504
-4.537896
other
Cd2H8C2N4Cl4O2
22
2
310.01
mp-1204215
9.490998
2.830816
-4.684549
other
Cd1H20C2S2N6O12
43
2
403
mp-2229247
8.06239
3.508349
-3.525236
other
Mg1Cu1C2S2O6F6
18
2
283.17
mp-1204315
8.782471
2.618434
-4.881268
other
U2H20C8S2N6O18
56
2
668.82
mp-557379
7.983589
1.268845
-4.582202
other
P8H24C16N8Cl8O4
68
2
961.52
mp-766092
13.252415
8.66221
-7.705286
other
Li2V2Cr2P4O16F4
30
2
354.9
mp-759864
12.759518
7.798646
-7.133485
other
Li2V2Cr2P4H4O20
34
2
356.58
mp-698396
7.075296
2.090533
-4.294112
other
Cu2H8C4N2Cl6O2
24
2
385.21
mp-1218823
7.90936
9.818727
1.497629
other
Sr8Ca1Y3Cu12Pb8O32
64
2
940.12
mp-1193721
7.859486
1.357278
-4.47322
other
Fe1H12C8S2N2O2
27
2
362.49
mp-1234960
13.989246
6.98561
-5.110151
other
Sr2Mg1Zn2Sn2P4O16
27
2
401.85
mp-567146
7.884505
0.308368
-4.469188
other
Si6P2H54C18Br2N4
86
2
981.99
mp-1197081
13.687476
6.218472
-1.627901
other
Na2Mn4Si6B2H4O22
40
2
441.43
mp-1203137
8.033622
0.488565
-4.418527
other
Sn4As4H48C16S4O6
82
2
1,136.13
mp-559063
7.975632
2.795069
-2.419978
other
Cs2B2C6N2O4F18
34
2
507.58
mp-754810
13.263556
7.821021
-7.239748
other
Li2Mn1V1P2H2O10
18
2
182.78
mp-1201982
9.029668
3.669519
-5.892558
other
K4U2H12C8Se2O30
58
2
830.96
mp-1222184
13.015345
6.450045
-0.548855
other
Mg2Al12Fe2Si4B4O36
60
26
679.92
mp-1208085
10.95679
8.442805
-6.474519
other
V2Co4P4H6N2O18
36
26
475.33
mp-695670
12.837128
6.551156
-0.763773
other
Na2Ca6Mg2Fe2Si8O28
48
28
684.83
mp-1205234
8.538806
2.053333
-4.416368
other
Ag8H64C24S16Cl8O32
152
29
1,902.51
mp-1180681
5.626048
3.339969
-3.575494
other
Os4C32I16N12O4F4
72
29
1,935.85
mp-1179444
3.651882
3.170392
-3.976697
other
Re4C4S4N8Cl12O8
40
29
1,208.27
mp-1204366
3.929395
3.037784
-3.887365
other
Re4C4S4N8Cl12O8
40
29
1,167.81
mp-559423
8.313113
1.620706
-4.461396
other
Ag4H32C20S8O8F12
84
29
1,078.13
mp-605676
8.254713
1.879377
-4.280619
other
Ag4H32C28S8O8F28
108
29
1,345.11
mp-600211
8.578906
1.22376
-4.322672
other
Mo8H104C32N8O20F24
196
29
1,882.92
mp-774708
8.534627
2.090348
-4.582116
other
Zn4H48C12S16N24O16
120
29
1,355.36
mp-1204242
9.856174
3.086773
-4.846342
other
Np4P8H36C8N4O44
104
29
1,160.44
mp-1202069
8.927629
7.804075
-4.797883
other
Fe8P8N8Cl8O24F12
68
29
1,150.83
mp-1201038
12.878335
6.191956
-0.883958
other
K4Na4Al24Si24H16O96
168
3
1,863.25
mp-1173823
13.423923
7.081274
-0.736717
other
Na4Ca4Al4Fe4Si16O48
80
3
886.66
mp-1199440
9.273289
3.378437
-4.688796
other
U4H24C4Se6N12O32
82
3
1,050.22
mp-1221120
12.738024
6.446745
-0.588736
other
Na1Ca3Sc1Zn3Si8O24
40
3
463.82
mp-1221133
13.638346
7.350974
-0.821471
other
Na1Ca3Al1Fe3Si8O24
40
3
454.3
mp-1234758
10.104685
3.131124
-3.91052
other
Cs4Mg1Mn4H16Cl12O8
45
3
865.56
mp-2226471
11.721954
11.830076
-2.602393
other
Cs2Mg1Mn1V2Cl2O6
14
3
305.76
mp-1221259
12.967182
6.839723
-0.960614
other
Na3Ca1Mg1Cr3Si8O24
40
3
441.24
mp-1221261
12.945532
6.445141
-0.398765
other
Na3Ca1Sc3Zn1Si8O24
40
3
468.12
mp-1197973
12.878613
6.195189
-0.890932
other
K2Na2Al12Si12H8O48
84
3
928.75
mp-1221119
12.607595
6.712451
-0.752381
other
Na1Ca3Mg3Fe1Si8O24
40
3
452.12
mp-1223597
12.783963
6.543276
-0.521165
other
K1Ca3Mg3Al1Si8O24
40
3
452.25
mp-1228946
11.076653
11.980636
-3.5564
other
Ba10Mg1Mn3V8Cl12O28
62
3
1,164.89
mp-1229204
-0.968219
1.1457
-5.113304
other
Ag8Hg10S10I2Br2Cl4
36
3
969.43
mp-1226437
8.656026
10.151008
-3.31245
other
Cr4H4Pb8Cl2O20F2
40
31
646.07
mp-759846
14.405517
7.623015
-6.484274
other
Li12Mn4Fe4Co4P12O48
84
31
910.85
mp-1200842
8.043529
1.648297
-4.433973
other
Cd2H16C4S4N8Cl4
38
31
587.23
mp-1223420
2.754941
2.380552
1.604001
other
Li28Nd10Si22N38O14F4
116
31
1,336.7
mp-1202476
10.167812
4.309426
-5.767788
other
Cu4H12Pb10C2S6O42
76
31
986.96
mp-1224471
2.643043
2.397071
1.781441
other
Li28Ce10Si22N38O14F4
116
31
1,340.06
mp-699265
7.751369
5.229112
-5.17981
other
B2H12Ru6C12O38F8
78
31
1,108.66
mp-1199928
8.769877
2.040278
-4.518844
other
Na4H24C4N8Cl4O8
52
31
613.34
mp-690844
4.03188
3.082057
-3.942883
other
Fe2H4C8N8Cl12O2
36
32
835.78
mp-698033
12.021056
4.704953
-5.027632
other
K2Al4P4H16O24F2
52
32
520.25
mp-558968
7.417988
2.739536
-3.100341
other
Mn8P8C48S4O32F48
148
33
2,396.25
mp-1198652
8.073772
1.078923
-4.487061
other
Te4H72C36S24N12Cl4
152
33
2,160.04
mp-759615
14.600022
7.603216
-5.70987
other
Na8Li4Ca4V4P8O36
64
33
778.52
mp-541423
11.27785
3.989664
-4.865458
other
Fe8P8H32N8O32F8
96
33
926.12
mp-1207595
9.25149
2.390697
-4.681865
other
Zn4P8H52C8N24O32
128
33
1,375.05
mp-1211222
9.937103
7.182483
-2.157472
other
Na8Al12Si12H4N4O48
88
33
1,480.53