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-1216298
8.438686
2.520495
-4.921646
other
Zn4H32C16N12O24
88
33
916.12
mp-776444
14.012897
5.892171
-6.762797
other
K4Li4Ti8P8O40
64
33
892.09
mp-1195103
8.79014
2.658862
-4.880596
other
Co4H40C16N16O32
108
33
1,043.58
mp-1200641
8.507832
2.437442
-4.787317
other
Cu4H36C16N12O24
92
33
952.66
mp-1213647
3.772475
3.534722
-3.903263
other
H4Ru4N24Cl12O4
48
33
1,129.44
mp-1195497
8.864904
2.681292
-5.007646
other
Cd4H28C12N4O24
72
33
771.78
mp-1212772
8.571782
7.878844
-4.764143
other
Fe8P8N8O32F8
64
33
901.28
mp-604420
12.774237
5.60575
-1.731037
other
Li4Al4Si4H8O20
40
33
518.37
mp-771908
11.574261
7.883708
-7.638305
other
Li8Fe8P8O32F8
64
33
872.39
mp-1224014
12.125569
4.816077
-5.178862
other
K4Mg4P8H20O36
72
33
817.19
mp-1202653
8.372
1.241816
-4.430495
other
La4H60C20Br12O20
116
33
1,732.55
mp-1195220
-3.037005
-1.390212
-5.600448
other
Ba8Ag8Sb8S24O8
56
33
1,527.15
mp-761853
10.314322
3.296171
-4.162202
other
Na12P4H88S12O48
164
33
1,768.95
mp-1198665
4.806475
3.049789
-3.696963
other
Pb4C8S8N16Cl8
44
33
1,400.22
mp-1195085
4.751094
2.700019
-3.569721
other
K8Li4C12S12N12
48
33
1,045.05
mp-766132
12.295598
6.981766
-7.639223
other
Li8Zr4Fe4P12O48
76
33
972.93
mp-1224543
14.383798
8.037771
-5.844096
other
K8Nb4V4P8O40
64
33
943.66
mp-774186
12.679081
5.637845
-5.170104
other
Li4V4P8H20O36
72
33
769.53
mp-1198462
8.557328
1.536224
0.91501
other
K4Na4Nb4O4F20
36
33
601.03
mp-1222972
12.022302
7.38153
-7.612452
other
Li8Ti4Fe4P12O48
76
33
917.67
mp-1224570
12.215425
4.999382
-5.194673
other
K4Mn4P8H20O36
72
33
847.14
mp-697020
12.851401
5.639724
-1.756412
other
Li4Al4Si4H8O20
40
33
431.56
mp-1255402
12.736368
5.597277
-1.744117
other
Li4Al4Si4H8O20
40
33
487.73
mp-559010
8.128822
2.339719
-1.405781
other
Sb8Os4C16O16F48
92
33
1,570.66
mp-779003
12.377214
5.250742
-5.217925
other
Li4Fe4P8H20O36
72
33
766.28
mp-560619
8.326194
1.642869
-4.582511
other
Ag4H48C24N20O12
108
33
991.53
mp-555595
9.470464
5.245856
-6.540581
other
K4Cu12S8Cl4O36
64
33
922.94
mp-705009
4.240411
2.274694
-3.247415
other
K12V4C20N20O4
60
33
1,154.95
mp-554732
9.929477
4.76925
-6.537266
other
Rb4Sb4S4O16F8
36
33
615.38
mp-759030
7.071971
4.70703
-4.853968
other
K4Sm4H16N16O56
96
33
1,229.79
mp-780629
13.056478
5.931883
-5.442541
other
Li4Fe4P4H8O20
40
33
465.48
mp-1203545
10.153925
7.134553
-2.076034
other
Na8Al12Si12N4O52
88
33
1,343.23
mp-1204399
12.796675
5.637402
-1.810405
other
Li4Al4Si4H8O20
40
33
419.59
mp-744737
8.693073
3.457573
-4.50375
other
Co4H60N28Cl4O20
116
33
1,464.79
mp-1179858
9.441711
5.866708
-4.445544
other
Rb8U4H16Se8O48
84
33
1,302.63
mp-759123
11.570734
8.062193
-8.167379
other
Li8Mn8P8O32F8
64
33
837.71
mp-677617
11.246205
4.862236
-4.732172
other
K4Mg4P8H20O36
72
33
765.98
mp-1223616
12.01516
4.785414
-5.1112
other
K4Zn4P8H20O36
72
33
815.29
mp-1201663
9.910587
2.993524
-4.623147
other
Zn4H48S8N16O32
108
33
1,212.49
mp-1218301
10.846667
12.559819
1.976991
other
Sr4Li4Ti16Cr4O44
72
33
813.85
mp-1195963
8.693267
3.822287
-6.523241
other
K4Zn4P4C8O24
44
33
688.9
mp-734150
9.089959
3.456592
-6.141963
other
Na12Y4H24C12O48
100
33
999.46
mp-1199367
8.897423
7.586872
-4.970862
other
U4P8H8C4O36
60
33
879.23
mp-1197893
8.767277
7.657633
-4.830039
other
Ga8P8N8O32F12
68
33
971.86
mp-699401
11.646834
7.637997
-3.485806
other
Cs8Sc8As8O32F8
64
33
1,168.54
mp-1213195
9.86499
4.858009
-6.448519
other
Cs4Sb4S4O16F8
36
33
648.13
mp-655057
12.392832
5.582584
-2.09334
other
Li4Al4Si4H8O20
40
33
522.02
mp-1247806
9.21758
2.095454
-4.405471
other
V16H96C16N16O48
192
33
2,031.94
mp-761252
12.025385
4.83026
-4.981303
other
Rb4P4H12O16F4
40
33
517.47
mp-24615
10.181755
3.653686
-4.571477
other
Li4H16Se4N4O16
44
33
492.66
mp-780488
12.399696
5.276333
-5.229092
other
Li4Cr4P8H20O36
72
33
795.42
mp-768092
9.893362
4.967342
-6.879858
other
Li4V4S4O16F12
40
33
552.32
mp-1195289
8.87777
2.613942
-5.022738
other
Mn4H28C12N4O24
72
33
758.28
mp-1195824
10.1745
2.031331
-3.792785
other
V4H32N8O4F16
64
33
547.89
mp-1200003
7.885987
7.094157
-4.734938
other
Fe8As8N8O32F8
64
33
1,023.05
mp-722315
9.016315
2.611793
-5.168181
other
Zn4H12C4N4O12
36
33
411.26
mp-24603
12.645026
5.719042
-2.002079
other
Ca4Al8Si8H16O40
76
33
693.19
mp-1204708
9.952698
4.130339
-4.886545
other
Co4P4H12C4O16
40
33
478.52
mp-772826
13.074209
7.82975
-3.817731
other
K8Li4Ti8As8O40
68
33
988.69
mp-1182648
8.29539
1.936154
-4.266789
other
Co4H60N24Cl8O8
104
33
1,619.09
mp-1182775
8.475052
1.594066
-4.230398
other
H68Ru4N24Cl12O8
116
33
1,776.77
mp-1211716
13.641295
5.323744
-6.948902
other
K8Ti4Ge4P8O40
64
33
868.39
mp-1213613
7.861715
1.560545
-4.456019
other
Cu12H24C12N24Cl12
84
33
1,134.6
mp-1200299
8.0678
4.650846
-6.574638
other
Nd4Cu4Pb4C12O44
68
33
929.03
mp-1198667
11.694499
3.979081
-3.524266
other
K8Sr4B32H112O112
268
33
2,555.43
mp-504426
10.218105
3.019338
-4.779191
other
Li4H20S4N8O16
52
33
473.14
mp-604229
9.023529
2.561342
-5.107188
other
Zn4H12C4N4O12
36
33
373.21
mp-774482
14.049446
5.872066
-6.8136
other
K4Li4Ti8P8O40
64
33
886.89
mp-1209409
13.995181
5.595469
-6.750182
other
Rb4Na4Ti8P8O40
64
33
889.68
mp-1205246
8.564028
1.110687
-4.054002
other
Mn4Sb8H72Se16N24
124
33
1,823.87
mp-780580
12.636518
5.448935
-5.635361
other
Li4Mn4P4H8O20
40
33
473.18
mp-1198291
9.300153
7.579127
-5.472899
other
Np4P8H8C4O32
56
33
742.89
mp-1199323
10.518446
5.68368
-5.532711
other
Th4P8H8C4O32
56
33
847.93
mp-555706
11.476389
5.235532
-3.015051
other
Li4Al4Si4H8O20
40
33
508.58
mp-2227212
11.197705
9.822071
0.468602
other
Mg1Ti1Zn1Bi2O6
11
38
197.99
mp-1247678
6.763099
12.127064
1.190972
other
Sr1Ca7Mn6Cr2O24
40
38
443.14
mp-1247646
7.235148
12.098372
1.804993
other
Sr1Ca7Mn6Al2O21
37
38
448.4
mp-2218552
-3.473028
-1.997185
-5.41605
other
Cs2Ce2Mg1Cu2S6
13
38
366.16
mp-1233550
13.712858
7.901171
-0.860382
other
Sr2Mg1V2Si4O14
23
38
348.25
mp-1232342
8.316001
8.613438
-0.008979
other
Sr3La1Ta1Al3O12
20
38
235.74
mp-1099886
6.179266
10.850377
-0.092915
other
Ba3Sr1Co1Cu3O12
20
38
253.16
mp-1076074
6.863363
11.98917
1.58844
other
Sr2Ca6Ti2Mn6O24
40
38
450.94
mp-1218868
7.468458
10.696
1.230166
other
Sr2Gd1Cu2Ru1O8
14
38
175.43
mp-1099936
5.316957
10.983858
-0.869252
other
Ba1Sr7Fe6Co2O24
40
38
482.25
mp-1228203
7.963719
9.836513
1.393978
other
Ba4Ca1Cu2C1O9
17
38
284.71
mp-1228600
7.814247
9.817333
1.694154
other
Ba3La5Tl2Cu4O18
32
38
468.86
mp-1076351
10.423666
12.034137
-3.2325
other
K1Na7V6Mo2O24
40
38
450.13
mp-677011
14.51368
4.453499
-6.371716
other
K4Ba1Ta6Si4O26
41
38
575.06
mp-1236593
12.001603
11.313001
2.207024
other
Li1Ta1Nb1Ag2O6
11
38
135.52
mp-1235464
7.982802
9.832136
1.376849
other
Ba1Li1Y1Cu2O5
10
38
126.77
mp-2222825
-9.596083
2.400857
-3.889681
other
Mg1Te4Mo2W1S2
10
38
318.18
mp-1218443
7.944039
11.459891
2.201625
other
Sr6La2Mn2Cr2O16
28
38
378.32
mp-1234183
7.679184
9.619562
1.007674
other
Ba2Eu1Mg1Cu4O8
16
38
251.25
mp-1076287
6.766369
11.260043
1.225609
other
La6Sm2Co7Ag1O24
40
38
451.77
mp-1228636
10.670115
10.245996
1.595123
other
Ba1Nb4Bi4Pb1O18
28
38
402.66
mp-1221960
9.057528
1.41434
-0.723175
other
Mn1Fe2Pb2O3F12
20
38
295.67
mp-1099600
5.714834
11.7939
-0.319611
other
Sr2Ca6Co7Cu1O24
40
38
442.89
mp-1218258
7.89022
10.505783
2.044934
other
Sr1La3Co1Ni1O8
14
38
191.35
mp-1218490
7.774432
10.644029
1.517151
other
Sr3Nd1Cu1Ru1O8
14
38
193.88
mp-1235454
13.688947
7.843263
-0.901607
other
Sr2Li1V2Si4O14
23
38
308.54