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-17967
14.151041
7.202257
-6.870948
other
Na4Mn4P4O16
28
62
332.68
mp-18079
-3.16961
-2.0708
-5.532608
other
Ba4La4Cu4S12
24
62
574.92
mp-1207501
12.406014
7.393764
-6.717594
other
Zn4P8Pd4O28
44
62
510.71
mp-556165
8.543706
3.807791
-6.10915
other
Li4B4C16O32
56
62
674.28
mp-6113
12.034495
7.544317
-4.612949
other
Li4Ti4As4O20
32
62
368.67
mp-1211936
-4.585064
-5.688952
0.502086
other
K20Ta4Tl8As16
48
62
1,595.41
mp-757855
10.492012
6.311121
-4.727926
other
V8Co4H16O32
60
62
730.83
mp-1202829
-5.96947
-3.765189
-1.815208
other
Ba8Ga4Bi4Te20
36
62
1,350.75
mp-6452
9.393563
8.525225
2.836572
other
Ba4Sm8Zn4O20
36
62
541.64
mp-1194629
9.578911
7.056225
-3.420476
other
Cs4Sc4Se8O24
40
62
736.41
mp-558458
12.533628
6.985066
-0.508999
other
Mg12Si4O16F8
40
62
437.35
mp-735023
8.203205
1.772073
-4.471916
other
H48C12S12N24
96
62
1,068.17
mp-1043595
8.979095
7.95794
-5.661048
other
Mn4Ni4P8O36
52
62
669.41
mp-6812
12.960752
5.738297
-5.534461
other
K4Ba4P4O16
28
62
439.52
mp-1213458
3.210769
2.958488
-4.225421
other
Fe4H16Cl20O4
44
62
1,102.46
mp-18673
12.950709
5.681208
-6.141733
other
Cs4Zn4P4O16
28
62
501.89
mp-21390
-4.339832
-3.787656
-3.839869
other
La8In4Cu4Se20
36
62
892.9
mp-760089
10.668233
1.176136
1.846323
other
Li4Mn8O4F12
28
62
355.51
mp-9625
13.410921
5.950145
-6.600733
other
Li4Mg4P4O16
28
62
290.25
mp-572131
-1.5844
0.139833
-4.608586
other
Sb4S32Cl20O4
60
62
1,843.6
mp-758685
14.120763
7.352232
-6.302831
other
Li4Fe4P12O36
56
62
818.85
mp-22243
11.500264
7.69024
-4.604246
other
Li4Ni4As4O16
28
62
308.22
mp-1199754
5.056787
3.061967
-3.63352
other
Cd8C24N8Cl24
64
62
1,744.84
mp-8870
11.989617
6.987261
-4.354094
other
Li4Mg4As4O16
28
62
316.64
mp-1200039
8.866295
4.873898
-4.086083
other
H16Br4N4O16
40
62
468.33
mp-831259
13.559632
7.13517
-0.804263
other
Li8Mn8Si12O36
64
62
959.62
mp-1205001
8.393932
2.510648
-1.140204
other
Os8Xe4O24F40
76
62
1,223.04
mp-707218
9.991077
8.628356
2.489509
other
Ba12Al4H4O16
36
62
645.26
mp-727909
8.420575
8.140233
-1.405192
other
Na8Pr4Ge4O20
36
62
505.82
mp-1238896
-4.904967
-0.061852
-5.487791
other
Ti4Cr4Ag4S16
28
62
559.37
mp-1200941
8.292726
0.809976
-4.451454
other
H44C16Br8N4
72
62
937.39
mp-21083
6.709179
9.924905
-0.256181
other
Ba4Yb8Co4O20
36
62
483.63
mp-1218259
7.420019
11.96735
2.013587
other
Sr4Nd8Mn12O36
60
62
686.9
mp-723896
-0.454763
1.40073
-4.637213
other
Rb12Ir4Br24O4
44
62
1,482.66
mp-1041003
13.931499
8.998028
-2.635666
other
Mg4P8W8O36
56
62
723.44
mp-1219482
-3.129497
-2.361121
-5.753872
other
Sm8In4Cu4S20
36
62
740
mp-654225
9.364202
7.031023
-3.57478
other
K4Fe4Se8O24
40
62
603.3
mp-557293
12.272589
6.911111
-0.901095
other
Li8Cd4Si4O16
32
62
352.33
mp-866639
-5.288283
-6.012542
0.68923
other
K4Sr8Cd8Sb12
32
62
1,054.42
mp-569427
-5.494329
-3.429104
-2.435304
other
K16Sn4Te8Se8
36
62
1,414.85
mp-775862
13.112346
7.348984
-6.788349
other
Na4Co4P4O16
28
62
323.45
mp-25447
14.98222
7.97093
-5.088417
other
Li4Cr4P4O16
28
62
310.58
mp-1223343
10.71057
11.80586
2.751507
other
K4Ti4Nb4O20
32
62
468.63
mp-770346
15.267532
6.996908
-2.09298
other
Li8V4B4O16
32
62
302.73
mp-542733
8.961976
8.907309
2.678061
other
Ba4Y8Cu4O20
36
62
508.77
mp-1204205
5.050205
2.894495
-3.589119
other
Zn4C32N8Cl16
60
62
1,730.29
mp-620054
5.68413
3.32785
-4.562442
other
Re4C20Br4O20
48
62
887.71
mp-615754
8.7088
0.769483
0.378652
other
Rb4Cu4Pd4F20
32
62
510.48
mp-1202890
9.532022
6.230584
-4.155385
other
K8B8Se12O40
68
62
1,127.49
mp-753404
11.388937
-0.342434
0.400811
other
Li4Mn4O4F8
20
62
212.21
mp-849735
12.988112
7.880743
-1.108348
other
Li4Cr4Si4O16
28
62
299.21
mp-760175
10.173987
2.236543
2.275246
other
Li4Fe8O4F12
28
62
342.86
mp-559779
-2.766987
-2.506743
-5.904273
other
Nd24Si8S48Cl8
88
62
2,148.27
mp-1201263
13.051475
5.895792
-6.419475
other
Cs4Ca4P12O36
56
62
997.29
mp-759009
8.919237
10.254817
-0.1443
other
Na40Ni8H8O32
88
62
1,185.48
mp-1198994
8.381583
1.776438
-0.214288
other
Ba4B4As4F40
52
62
843.34
mp-24356
8.533698
1.165924
-4.292721
other
Cd4H16N4Cl12
36
62
541.44
mp-1041048
14.65894
8.859981
-5.414285
other
V8Zn4P8O36
56
62
672.46
mp-559019
-2.417687
-3.10479
-5.280485
other
Nd24S16Br4N12
56
62
1,273.43
mp-583052
-4.591398
-3.557747
-3.992704
other
Lu4Cu4Pb4Se12
24
62
572.34
mp-757468
12.986015
9.019701
-7.426046
other
Li4V4P4O20
32
62
360.96
mp-757028
9.930464
8.330483
-6.674605
other
Li4Mn4P4O20
32
62
363.85
mp-541430
-4.619257
-3.546124
-3.840025
other
Ba4La4Cu4Se12
24
62
680.23
mp-754522
10.818539
12.371341
-3.235446
other
Li4V4Co4O16
28
62
317.27
mp-1217858
10.914892
11.675306
2.809498
other
Ta4Ti4Tl4O20
32
62
479.34
mp-6456
12.232185
7.370753
-0.840379
other
Li4Nb4Ge4O20
32
62
396.6
mp-1213772
1.502468
2.658407
-5.582547
other
Cs8Tm4Cl20O4
36
62
1,304.8
mp-759270
11.852407
7.47892
-1.760798
other
Li40Fe8Si16O64
128
62
1,374.68
mp-1211560
10.950501
7.81444
-0.405339
other
K8Rb8Ge8O24
48
62
904.93
mp-1207876
6.412521
5.491747
-4.336401
other
Zn4H24N8O24
60
62
830.98
mp-1352495
11.525228
7.92944
-6.471644
other
Ni4Te4P8O36
52
62
704.43
mp-1223405
9.780671
4.595663
-6.48175
other
K4S4O12F4
24
62
402.7
mp-1193109
11.753609
7.051603
-3.849853
other
Na4Ca4As4O16
28
62
417.41
mp-558883
12.188567
6.671499
0.507798
other
Y12Si8Cl4O32
56
62
774.14
mp-629511
-2.92056
-2.157012
-5.273385
other
Ce8Sb4S20Br4
36
62
861.85
mp-557590
12.466907
10.509393
2.051164
other
Na4Nb4O8F4
20
62
260.68
mp-510073
8.161095
1.169881
-3.949522
other
Rb4Li4H16N8
32
62
358.46
mp-23568
8.311566
2.636729
-1.095632
other
Xe4N8O8F32
52
62
728.95
mp-17891
12.283382
6.421158
0.165419
other
Na4Y4Si4O16
28
62
379.79
mp-16780
-3.257111
-1.330183
-5.449338
other
K4Ba4Nb4S16
28
62
843.22
mp-740718
8.542826
1.006137
-4.211023
other
Al8H48N16Cl24
96
62
1,388.84
mp-1199838
5.438269
-0.443541
-2.998244
other
K4Sc4B16H64
88
62
1,035.09
mp-770726
9.420675
12.246575
0.119286
other
Li36Al4Co8O32
80
62
771.36
mp-554336
-2.513396
-0.337418
-5.268284
other
Nb8Ag16P16S64
104
62
2,315.76
mp-1192528
-4.725199
-5.526759
0.784941
other
Li4Ca12As8H4
28
62
584.12
mp-1192819
13.760139
8.16008
-0.989275
other
Mg4Fe4Si4O16
28
62
311.38
mp-560434
7.838332
4.725027
-5.345315
other
K8S4N8O20
40
62
604.48
mp-556910
-2.78481
-2.464038
-5.890215
other
Sm24Si8S48Cl8
88
62
2,102.92
mp-1196808
7.416186
8.127747
-3.147298
other
Mg12B8S4O56
80
62
1,055.54
mp-581330
10.657351
11.241424
3.104693
other
Cs8Ca16Nb24O80
128
62
1,902.44
mp-6032
13.451564
5.066989
-1.735285
other
Sr4Si8B8O32
52
62
597.83
mp-571473
-4.619218
-2.924063
-3.460406
other
K16Sm16As16Se72
120
62
3,460.49
mp-831160
14.856181
7.843469
-5.49753
other
Li4Fe4P4O16
28
62
295.09
mp-737385
9.791682
7.364127
-2.057426
other
K12Y4Si12O40
68
62
1,042.04
mp-1212793
10.026849
2.029305
-2.859509
other
Fe8H16N4F24
52
62
559.16
mp-505808
9.340904
8.721545
2.928039
other
Ba4Er8Cu4O20
36
62
496.4
mp-1211644
2.402769
2.02254
-4.878337
other
Li4Zn4H12Cl12
32
62
707.93
mp-759021
11.610373
8.035846
-8.133421
other
Li8Mn8P8O36
60
62
729.31
mp-1182566
5.70489
3.277094
-3.642263
other
Cu8C16N4Cl12
40
62
807.85
mp-557049
-3.681685
-1.438555
-5.440615
other
Cd4Sb4S8Cl4
20
62
489.07