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-1516425
12.33557
10.42842
0.361028
other
Ba4Eu4W8O24
40
131
567.37
mp-1192849
7.048752
8.068273
-3.331998
other
Na2Ni2P2O22
28
131
402.63
mp-643451
3.341361
-0.798043
-2.368678
other
Ba2Mg4H16Ru2
24
131
267.03
mp-1518822
7.54288
8.242039
0.437867
other
Ba4Tb8Sm4O24
40
131
660.06
mp-1199184
8.498336
2.214026
-0.77004
other
Ba12Ti8O24F40
84
135
1,366.11
mp-562912
9.878918
10.508532
-2.080687
other
Co24Te12Cl8O48
92
135
1,295.54
mp-735135
7.555216
6.432723
-3.009748
other
Ca8Hg8I32O64
112
135
2,534.56
mp-1203710
11.744797
4.742751
-4.059563
other
Ti16Si8H48O72
144
135
1,502.73
mp-1194714
-2.425103
-0.569637
-5.219888
other
Sr4Th4P8S32
48
135
1,234.14
mp-696815
10.175107
1.909424
-3.519686
other
Al4H16N4F16
40
135
317.27
mp-1194605
-2.424389
-0.491808
-5.144114
other
Ba4U4P8S32
48
135
1,289.06
mp-1195526
-2.410803
-0.47163
-5.146892
other
Sr4U4P8S32
48
135
1,222.54
mp-1197017
-3.304847
-1.487896
-5.243759
other
Ba8Ge4Sb16S40
68
135
1,869.89
mp-758660
10.997803
3.820785
-4.299387
other
Mg2P4H32O20
58
137
562.66
mp-1201761
12.597812
6.397145
-0.992286
other
Ba4Cu4Si8O24
40
137
574.73
mp-1182662
12.597551
6.397062
-0.992705
other
Ba8Cu8Si16O48
80
137
1,149.46
mp-1193285
7.223989
5.41672
-3.46597
other
Pt4N8Cl8O8
28
137
524.54
mp-559639
13.368118
5.648112
-6.211544
other
K8U2P4O20
34
137
584.83
mp-707373
9.681137
4.311915
-4.202708
other
Mg2H24Cl4O20
50
137
567.2
mp-1200872
11.264571
12.369674
1.772115
other
Ca4Ti8Fe4O24
40
137
437.44
mp-1200918
2.939916
2.951186
-3.61627
other
Hg4S8I8N16
36
137
1,140.7
mp-1193012
7.237216
5.442812
-3.460179
other
Pt4N8Cl8O8
28
137
515.09
mp-6563
-6.01466
-2.24162
6.011581
other
Tb4Al36Fe16Si24
80
137
1,144.17
mp-1120801
11.605741
11.729147
1.841721
other
Ti8Zn4Sn4O24
40
137
450.83
mp-1179899
6.201323
5.081492
-4.314516
other
Pt4N8Cl8O8
28
137
955.48
mp-569739
-6.020865
-2.253653
6.016006
other
Er4Al36Fe16Si24
80
137
1,136.23
mp-720897
6.102296
0.802277
-3.549012
other
Zn2B16H16N8
42
137
617.86
mp-1211284
10.538168
7.784402
2.917585
other
La4Cd2Se4O4
14
137
316.65
mp-1103370
10.869809
7.795866
3.084552
other
Ce4Cd2Se4O4
14
137
300.69
mp-1197527
8.500893
1.18632
1.642751
other
Na12Th40Be4F180
236
138
3,380.64
mp-1204693
-3.709736
-2.486818
-5.255524
other
Ba72In32S84F72
260
138
6,502.42
mp-1202309
10.032901
1.896182
-3.52388
other
Al20H80N20F80
200
138
1,786.13
mp-1203636
9.482118
8.568151
2.376748
other
Ba4Pr8In8O28
48
136
748.2
mp-1212035
2.418128
3.225727
-4.485488
other
K4Cu2Cl8O4
18
136
422.66
mp-17522
8.569785
9.635225
-0.009538
other
K8Rb4Co4O10
26
136
524.41
mp-1202710
9.899968
8.408647
3.271398
other
Ba4Gd8Sc8O28
48
136
681.6
mp-569001
1.609708
1.897875
1.4136
other
Sr4Li2Co2N4
12
136
217.63
mp-1197371
9.501196
8.558524
2.385182
other
Ba4Nd8In8O28
48
136
743.12
mp-1198179
-8.234254
0.531235
4.594072
other
Dy8Fe24Co32B4
68
136
877.35
mp-1220235
-8.731363
0.099678
4.437443
other
Nd4Y4Co56B4
68
136
869.63
mp-540740
7.828845
11.229951
1.654657
other
Sr4Tb8Fe8O28
48
136
613.2
mp-1220835
-7.710052
1.028387
5.055764
other
Nd4Dy4Fe56C4
68
136
904.4
mp-1200892
9.960031
8.433031
3.231809
other
Ba4Sm8Sc8O28
48
136
677.4
mp-1188453
3.475275
3.598521
-3.877915
other
Cu2N4Cl8O4
18
136
401.88
mp-510248
8.100113
11.390715
2.190241
other
Ba4Gd8Mn8O28
48
136
613.22
mp-1213238
2.629357
2.906582
-3.976288
other
Cu2H4N4Cl8
18
136
443.16
mp-1211809
9.387892
10.085387
0.153835
other
K4Na8Fe4O10
26
136
443.55
mp-1277787
9.579171
11.27984
0.755927
other
Ba4Fe2Mo2O12
20
136
275.31
mp-14324
10.317564
8.009183
-0.039001
other
K4Na8Be4O10
26
136
364.05
mp-1198727
8.637705
0.967007
1.750733
other
Ba8Sr4Mg16F56
84
136
1,208.79
mp-17724
8.595606
10.043964
-0.023394
other
K4Na8Co4O10
26
136
427.31
mp-6491
13.240593
5.545515
-6.546113
other
Na8Zn4P8O28
48
136
639.48
mp-1199281
-8.239293
0.499091
4.683581
other
Pr8Fe24Co32B4
68
136
905.78
mp-573240
6.883724
11.159767
1.299637
other
Sr4Gd8Co8O28
48
136
588.34
mp-1211085
1.429734
1.955677
1.486949
other
Li2Ca4Fe2N4
12
136
191.55
mp-603128
6.081806
10.730096
0.190914
other
Sr4Eu8Fe8O28
48
136
624.82
mp-21699
9.380586
8.633849
2.451382
other
Ba4La8In8O28
48
136
755.97
mp-19472
11.067733
12.206516
-3.266246
other
Rb8Mn4V8O28
48
136
925
mp-1220643
-7.720705
1.024493
5.045021
other
Nd4Er4Fe56B4
68
136
920.82
mp-1225933
-7.739545
1.062643
5.017123
other
Dy4Tm4Fe56B4
68
136
899.82
mp-1213405
2.423266
2.8356
-3.656053
other
Cu2Br8N4O4
18
136
520.43
mp-1222411
1.742447
1.944457
1.175602
other
Li2Ca4Cu2N4
12
136
186.46
mp-1220557
-7.707203
1.013324
5.059573
other
Pr4Er4Fe56B4
68
136
922.24
mp-1195909
9.872561
8.43192
3.269131
other
Ba4Pr8Sc8O28
48
136
709.5
mp-555073
11.060921
7.65962
0.821398
other
La12As8Cl4O28
52
136
968.12
mp-19459
10.776717
12.291265
-3.487574
other
K8Mg4V8O28
48
136
795.71
mp-16102
12.430784
6.662264
-5.548832
other
Zn4Ag8P8O28
48
136
662.9
mp-1220477
-7.730341
1.036915
5.058242
other
Nd4Ho4Fe56B4
68
136
910.79
mp-1203678
11.112389
7.666688
0.69776
other
La12As8Br4O28
52
136
984.47
mp-1212085
2.544493
3.456303
-4.595713
other
K4Cu2Cl8O4
18
136
538.5
mp-1226057
-7.732437
1.057239
5.010796
other
Dy4Er4Fe56B4
68
136
906.87
mp-18212
13.184917
6.956494
-6.735591
other
Na8Co4P8O28
48
136
638.16
mp-555997
5.297656
3.192583
-4.515378
other
Os2C8Cl4O8
22
136
447.72
mp-18151
8.581408
9.919678
-0.082926
other
Rb4Na8Co4O10
26
136
440.73
mp-1219868
-8.760408
0.086032
4.475861
other
Pr4Nd4Co56B4
68
136
879.36
mp-1200958
7.935085
8.377687
0.979276
other
Ba4Eu8Sc8O28
48
136
694.94
mp-866637
-2.664974
-0.558378
-5.214815
other
K4P4Pd4S16
28
136
824.44
mp-1220544
-7.714384
1.021361
5.067652
other
Nd4Y4Fe56B4
68
136
929.56
mp-16695
13.051154
5.688469
-6.175047
other
K8Zn4P8O28
48
136
732.64
mp-1216311
-7.719326
0.9998
5.026102
other
Y4Th4Fe56B4
68
136
919.99
mp-1220576
-7.734031
1.036465
5.058557
other
Nd4Dy4Fe56B4
68
136
922.5
mp-1217651
-7.723747
1.014489
5.069017
other
Tb4Nd4Fe56B4
68
136
924.3
mp-21671
5.895117
10.88829
0.070203
other
Sr4Eu8Fe8O28
48
136
590.26
mp-1211788
-1.092888
1.315054
-1.719869
other
La16C4I24N4
48
136
2,012.95
mp-1216335
-7.721592
1.053195
5.009529
other
Y4Er4Fe56B4
68
136
906.14
mp-1212137
1.506196
2.589931
-5.399679
other
K4Cu2H4Cl8
18
136
409.2
mp-1189905
5.871999
5.492871
-3.459381
other
Cu2N4Cl8O4
18
136
347.65
mp-18422
9.705871
8.894418
0.334516
other
Rb4Li4Zn8O12
28
136
382.96
mp-1204612
-1.104263
1.261977
-1.873979
other
Ce16C4I24N4
48
136
1,908.76
mp-1198101
9.900785
8.427961
3.288132
other
Ba4Nd8Sc8O28
48
136
700.93
mp-569282
-5.268899
-5.929699
0.690433
other
Li4Ca40Mg4Sb36
84
136
2,459.83
mp-1226066
-7.734968
1.001773
5.029659
other
Dy4Th4Fe56B4
68
136
916.37
mp-1217550
-8.73409
0.108689
4.443677
other
Tb4Nd4Co56B4
68
136
864.58
mp-556400
9.979251
8.450653
-0.683427
other
Cs8K8Te4O20
40
136
851.15
mp-1209593
2.245531
3.194422
-4.521408
other
Rb4Cu2Cl8O4
18
136
474.46
mp-1219983
-7.720361
1.004585
5.099561
other
Pr4Nd4Fe56B4
68
136
930.68
mp-1197417
9.742859
8.441957
3.222747
other
Ba4La8Sc8O28
48
136
722.38
mp-662530
-2.743421
-0.48873
-5.143254
other
K4Ni4P4S16
28
136
775.34
mp-1226123
-7.720723
0.985847
5.014369
other
Er4Th4Fe56B4
68
136
918.24
mp-16453
-2.88891
-2.459788
-5.224498
other
Ba2Ce4Zn2S10
18
140
425.63