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-553968
2.904598
3.099164
-4.457573
other
Mo8P8Cl40O24
80
14
2,070.73
mp-1191654
7.928241
1.032499
-3.994087
other
K4H12C4N4
24
14
316.42
mp-12226
13.213905
5.887973
-6.733259
other
Na4Nd4P16O48
72
14
936.67
mp-26323
14.42319
8.520774
-5.007158
other
Li4Mo4P8O28
44
14
537.51
mp-1044221
9.201533
10.841723
-2.565262
other
Zn4Cr4Bi4O20
32
14
469.03
mp-1019580
12.861643
6.68945
-0.594917
other
Ca4Mg4Si8O24
40
14
446.86
mp-1042620
6.391758
10.196862
-1.531024
other
Zn8Co8Bi16O56
88
14
1,229.06
mp-1209032
10.471792
2.480499
-3.050855
other
Si2H28O12F12
54
14
425.91
mp-776600
13.161665
5.337729
-2.978928
other
Li8Fe8B16O40
72
14
702.33
mp-1275491
10.732421
11.944304
-1.640536
other
Zn4Ni2W2O12
20
14
214.34
mp-558616
13.090549
5.70677
-6.432827
other
Sr4Zn4P8O28
44
14
579.84
mp-1201069
-4.390237
-2.64248
-3.466441
other
Cs8Cu8P8Se24
48
14
1,474.12
mp-560051
-3.560482
-1.674995
-5.490825
other
Rb4Si4Bi4S16
28
14
785.32
mp-1195189
13.126793
6.232053
-6.686499
other
Tb4P16H4O48
72
14
920.76
mp-1204172
6.51302
5.678877
-4.424123
other
Pd4S4N12O12
32
14
708.5
mp-1048259
12.592204
7.159445
-7.1819
other
Mg4Ni4P8O28
44
14
492.16
mp-721583
9.533902
5.823492
-4.193804
other
Cd4H8Se4O20
36
14
447.23
mp-768809
13.872481
5.057003
-2.35927
other
Li12Bi4B8O24
48
14
547.22
mp-554007
10.160146
9.596112
-2.071824
other
Fe8Te16Br8O40
72
14
1,265.77
mp-1195655
9.305407
7.181625
-3.438323
other
Cd4Cu4Se8O24
40
14
590.14
mp-1197900
11.101377
7.157537
-5.025762
other
P16Pt4I4O40
64
14
3,486.51
mp-709350
11.669094
7.219581
-3.886224
other
Sr20As20H4O72
116
14
1,755.91
mp-561020
-0.410562
1.024575
-4.862988
other
Nb4P16S20Cl20
60
14
1,850.71
mp-1199566
8.00486
0.429346
-4.48126
other
Al4H40C12N4
60
14
652.12
mp-560160
11.355039
9.129479
0.23754
other
Li8U20Mo4O76
108
14
1,657.93
mp-510036
11.24474
7.877886
-7.510756
other
Fe4Cu2P8O28
42
14
559.12
mp-760208
10.965499
12.569802
-3.3257
other
Li16V12Fe8O48
84
14
1,042.32
mp-1197946
10.154868
4.754678
-5.678946
other
Zn2H12S8O32
54
14
589.83
mp-1201964
7.602669
0.653635
-4.060934
other
Na4B4H32N8
48
14
450.4
mp-554213
11.541062
11.272644
-4.030201
other
Dy4Mo4O16F4
28
14
406.04
mp-1567493
8.987917
3.411436
-7.756458
other
Li4V2C4O12
22
14
260.56
mp-541428
13.007125
8.274554
-6.22464
other
Cs4Mo4P8O32
48
14
780.79
mp-759653
11.992017
7.00508
-4.199674
other
Li4Bi8P4O24
40
14
570.43
mp-561447
13.747419
4.111637
-2.161505
other
K12Al4B32O60
108
14
1,547.03
mp-697657
12.930447
6.160524
-6.302794
other
Ca2P8H4O24
38
14
486.51
mp-1180950
2.570725
3.33152
-4.560183
other
K8Tl4Cl20O8
40
14
1,082.89
mp-1238496
10.838609
3.951041
-4.254681
other
Al8H72S4O60
144
14
1,314.71
mp-555537
10.908161
12.217109
-3.359663
other
Na6Er2V4O16
28
14
399.36
mp-1195576
8.288001
2.162783
-0.8959
other
Co4Sb12Xe4F92
112
14
1,880.37
mp-1041326
8.671135
1.69805
1.02116
other
Ba4Zn4Sb4F28
40
14
617.71
mp-510452
10.508327
4.184123
-6.463322
other
Ce4H4S4O20
32
14
386.19
mp-1193853
-2.88132
-1.001063
-5.371564
other
K8Mo4S8O8
28
14
710.62
mp-1204010
8.108613
6.420348
-5.265507
other
K4Lu4S8O40
56
14
877.72
mp-541627
4.235693
2.310295
-3.226201
other
K6Fe2C12N12
32
14
603.84
mp-1195320
8.084074
2.4424
-1.217497
other
Te8Xe4O16F40
68
14
1,224.25
mp-19491
12.886891
6.032024
-6.313964
other
Ba8Ni4P8O32
52
14
783.1
mp-1047903
12.767478
6.919899
-1.150039
other
Be12Cr8Si12O48
80
14
828.89
mp-555215
13.904319
6.794544
-6.731856
other
Mg8Mn4P8O32
52
14
654.41
mp-634431
8.742162
3.632359
-6.466513
other
K4H4C4O12
24
14
298.41
mp-758043
11.91529
7.441808
-7.387647
other
Li4Ni4P4O16
28
14
371.49
mp-1219885
10.888539
11.09621
1.266683
other
Pr4V2Fe2O12
20
14
249.17
mp-758298
12.645865
7.324694
-7.465753
other
Li8Ni4P8O28
48
14
526.29
mp-6095
13.450712
5.634842
-6.548758
other
Mg32P16O64F16
128
14
1,430.47
mp-1199715
-4.142073
-2.531964
-3.477484
other
K8In8P12Se40
68
14
2,031.5
mp-622199
-3.965394
-2.452502
-3.361915
other
K4Cu4P8Se20
36
14
966.43
mp-1304797
7.227138
10.717298
1.063369
other
Sr12In4Ni4O24
44
14
597.73
mp-1212737
7.258549
2.510339
-3.003609
other
H4C48N12F40
104
14
1,409.51
mp-1194591
-2.330117
-0.50535
-5.339683
other
Nd4Tl4P8S28
44
14
1,127.27
mp-541468
13.429114
6.763469
-6.363514
other
Mn4P8Pb4O28
44
14
617.2
mp-1201382
9.038074
4.89733
-4.145148
other
Na8H32W4O48
92
14
1,069.34
mp-1040945
10.603935
12.124139
2.116654
other
Ta8Zn4Cu8O32
52
14
708.91
mp-757615
14.440754
8.388231
-4.268372
other
Li4P8W4O28
44
14
519.25
mp-1191175
-4.167763
-2.453851
-3.483706
other
K4Fe2P4Se12
22
14
632.18
mp-1205182
5.497728
4.784242
-4.176615
other
Co4Br4N20O16
44
14
934.94
mp-561379
2.31752
2.942406
-4.482131
other
Ga4Re4Cl24O8
40
14
1,180.25
mp-1042628
11.19379
12.010996
2.113868
other
Ta16Zn8Co8O56
88
14
1,240.71
mp-505235
12.696475
6.988338
-6.349463
other
Co4P8Pb4O28
44
14
551
mp-1188690
7.44857
11.826829
2.00531
other
Sm4Mn2Co2O12
20
14
234.51
mp-1200222
10.983333
7.228041
-6.790667
other
K8Li4P12O40
64
14
990.47
mp-19176
8.475719
10.714594
1.55854
other
La4Ni2Ru2O12
20
14
253.06
mp-19211
12.403797
7.328918
-7.099407
other
Sr2Ni6P8O28
44
14
515.3
mp-6596
13.715854
5.372875
-6.576489
other
Mg4Al4P4O20
32
14
392.91
mp-568611
-4.285483
-2.582392
-3.555821
other
K12Cu12P12Se36
72
14
1,940.75
mp-11914
7.584764
10.395392
1.286645
other
Na2La4Ir2O12
20
14
275.1
mp-557143
8.435905
3.854047
-6.855468
other
Tl8Cu4C8O24
44
14
663.47
mp-558984
10.583747
9.60131
-2.069662
other
Ga4Te4O12F4
24
14
322.71
mp-1041410
6.848863
11.287247
-1.685722
other
Mg4Mn8Cu8O32
52
14
632.96
mp-1211776
9.551651
7.193023
-2.901836
other
K4Ti4Si12O44
64
14
944.92
mp-1212576
11.1131
10.992336
-3.755602
other
K8Cu8Mo12O48
76
14
1,253.75
mp-14884
12.943801
6.097154
-6.535032
other
Sr12Ni6P12O48
78
14
1,079.34
mp-1211956
-5.531571
-7.060002
2.730417
other
K8Na16Zn4Sn8
36
14
1,174.94
mp-1179625
2.724104
2.515127
-3.502713
other
Sn4C12I32N24
72
14
2,627.26
mp-1203158
8.120348
6.470283
-5.166168
other
K8Cu4S8O40
60
14
1,000.45
mp-1202107
4.787807
2.812121
-3.566464
other
Hg4C32N8Cl16
60
14
1,644.19
mp-16813
6.166737
2.963027
-3.60658
other
B4S16N16F12
48
14
904.75
mp-1207925
8.196739
6.338805
-5.443688
other
Yb4Tl4S8O36
52
14
687.99
mp-1176645
15.202192
5.692235
-2.278332
other
Li4Mn4B4O12
24
14
278.62
mp-1216305
9.409202
7.299113
-3.595257
other
V2Sb2Se8O24
36
14
525.78
mp-569618
-4.169016
-2.564687
-3.175126
other
Na4Ce4P8Se24
40
14
1,052.26
mp-1180672
12.476773
6.470709
0.202158
other
Pr4Y4Si8O28
44
14
622.66
mp-1212281
11.728183
7.37264
-0.680506
other
Na12Ga12Ge12O48
84
14
1,205.48
mp-1211228
13.704669
4.641353
-1.691728
other
Li12Sm8B12O36
68
14
702.11
mp-770698
9.242582
12.382776
-0.469008
other
Li8Al4Fe4O16
32
14
360.41
mp-1195627
13.475504
4.39677
-2.73255
other
Zn2B24H20O48
94
14
873.01
mp-18414
9.548877
8.630989
2.782958
other
Ba4La8Be4O20
36
14
518.71
mp-1199578
4.420528
3.855826
-4.027395
other
Co4N24Cl8O8
44
14
913.99
mp-1195807
12.865119
5.958394
-6.383502
other
Ti4P8H8O32
52
14
630.09
mp-561965
10.13085
11.196872
2.93008
other
Ca12Nb8Co4O36
60
14
742.74
mp-1043608
10.688142
10.316447
1.63493
other
Mg4Ta4Bi4O20
32
14
499.83
mp-1199527
6.803351
5.684381
-4.756104
other
Pb4C4N4O24
36
14
498.78