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-1245847
0.957355
2.660705
1.7749
other
Cr2Pb2N4
8
129
123.08
mp-1173046
8.334688
1.563899
1.306938
other
Rb2Bi2F6
10
129
234.26
mp-1079518
-5.527002
-3.866775
4.718248
other
Er2Si4Pt4
10
129
169.09
mp-1205410
-4.559487
-1.624022
-5.703838
other
Cu2Ag2S2
6
129
98.25
mp-2275508
-3.768439
-4.293017
-3.803656
other
Er2As2Se2
6
129
132.37
mp-4973
8.177995
2.273262
2.563223
other
Ce2S2F2
6
129
109.79
mp-22987
9.49315
8.065388
-0.626946
other
Bi2I2O2
6
129
154
mp-1071293
-4.727174
-5.390738
0.449533
other
Cs2Mn2As2
6
129
182.85
mp-1018667
-5.389115
-3.424406
-1.369403
other
Ce2Te2Cl2
6
129
166.69
mp-24424
0.763649
1.089676
-3.206657
other
Ba2H2Br2
6
129
155.07
mp-27546
8.386013
1.662134
1.799127
other
Ca2Cl2F2
6
129
102.82
mp-1071765
-5.386213
-3.906417
1.072162
other
U2Sb2S2
6
129
147.79
mp-505143
-5.795975
-2.904222
5.341892
other
Pu2Si4Ir4
10
129
168.23
mp-7090
-5.355416
-6.073235
0.492779
other
Na2Mg2Sb2
6
129
164.6
mp-22438
-5.337584
-3.941028
4.781808
other
Ce2Si4Pt4
10
129
178.56
mp-20400
-7.880486
-4.086485
3.415754
other
Ce2Ge4Pt4
10
129
191.29
mp-7932
-5.146265
-3.394708
4.281805
other
U2Si2S2
6
129
118.23
mp-5239
-5.607056
-2.80691
5.975513
other
Nd2Si2Ru2
6
129
123.7
mp-1091396
-8.978881
-6.122151
3.170927
other
Pr2Al4Au4
10
129
203.35
mp-637220
-5.453589
-3.935023
4.709011
other
Gd2Si4Pt4
10
129
173.25
mp-13485
-8.66452
-6.033164
3.100616
other
Eu2Al4Au4
10
129
205.88
mp-1210218
2.893515
-0.295309
-2.975064
other
P4H16I8
28
129
5,363.71
mp-3799
8.173551
2.232098
2.760018
other
Gd2S2F2
6
129
100.79
mp-8658
-4.642553
-3.193722
-3.81941
other
Cs2Na2Se2
6
129
202.27
mp-7100
8.755595
1.939007
2.438445
other
La2O2F2
6
129
96.27
mp-1019089
-4.727258
-5.486942
0.398737
other
K2Mg2As2
6
129
160.29
mp-9517
1.614891
1.77484
2.146292
other
Sr2Ti2N4
8
129
116.53
mp-23074
7.890386
2.664401
0.999568
other
Bi2O2F2
6
129
86.28
mp-12780
-8.527904
-6.31628
2.739328
other
Sr2Ga4Au4
10
129
214.11
mp-7434
-6.056758
-3.112205
-2.440567
other
Na2Cu2Te2
6
129
134.72
mp-1246034
2.234457
2.029327
1.327165
other
Sr2Sn2N4
8
129
137.1
mp-28255
10.926172
8.677922
2.683902
other
La8H8O8
24
129
370.86
mp-1176628
10.733797
-0.081828
0.216198
other
Li2Mn2F8
12
13
126.17
mp-754337
10.230062
2.72768
1.746927
other
Li2V2F8
12
13
126.8
mp-18910
12.052149
13.123775
-2.236615
other
Ba2V8O18
28
13
336.76
mp-755554
10.199378
0.469981
0.073569
other
Li2Fe2F8
12
13
125.75
mp-1214810
8.712772
7.928452
-4.049879
other
As2Pb2O8
12
13
181.47
mp-18918
10.703839
11.629783
-2.147846
other
Zn2W2O8
12
13
132.27
mp-761526
5.546471
12.580148
-2.619503
other
Fe2Co2O8
12
13
115.88
mp-754111
12.19341
10.83124
-0.533874
other
Lu2W2O8
12
13
139.26
mp-1219450
10.839768
11.372054
-2.557692
other
Sc4W6O24
34
13
430.06
mp-1209710
-2.091508
-1.537872
-5.21291
other
Pr14S12Cl18
44
13
1,171.45
mp-1042407
11.183733
11.193475
-2.839962
other
Cu6W12O42
60
13
1,175.86
mp-7404
9.91345
9.682223
0.219876
other
Na6Sb2O8
16
13
192.34
mp-776339
10.391858
0.456599
0.254634
other
Li2Fe2F8
12
13
142.28
mp-764801
9.541054
0.600171
-0.176654
other
Li4Cu10F24
38
13
456.68
mp-570583
3.257123
2.859379
-4.322294
other
P16N12Cl44
72
13
2,437.63
mp-31906
11.022728
11.561069
-1.466162
other
Mn4Re4O16
24
13
286.18
mp-3291
-5.898104
-2.963246
-2.036778
other
Ag2Te8Au2
12
13
352.68
mp-727356
6.77667
5.938873
-3.429887
other
Dy2Br6O12
20
13
396.63
mp-1101575
11.237695
7.938683
-7.120694
other
Co4P10O30
44
13
560.62
mp-1831183
6.107267
11.367776
-1.508781
other
Zn2Ni4O10
16
13
179.92
mp-22194
9.963912
13.013155
0.447176
other
Nb2Fe2O8
12
13
128.69
mp-541283
-0.475519
1.20766
-4.329302
other
In4Ga4Br16
24
13
850.41
mp-755628
10.270585
12.890896
0.89726
other
Ta4Fe4O16
24
13
270.79
mp-29917
7.376566
10.114058
0.405586
other
Ca10Cu12O24
46
13
582.25
mp-9595
10.901443
11.266451
2.322891
other
Nb2In2O8
12
13
147.46
mp-30022
1.598666
2.258291
-5.174695
other
Eu2Al4Cl16
22
13
639.82
mp-1180150
11.875767
11.82009
1.999063
other
Nb8Fe4O24
36
13
465.1
mp-776110
13.430752
7.678189
-0.751462
other
Si12Sn12O36
60
13
911.66
mp-1190655
5.129664
-0.418114
-2.8977
other
Li4B4H16
24
13
895.44
mp-1274148
8.456032
10.512383
-2.835168
other
Cr4Bi4O16
24
13
366.63
mp-29861
-4.436259
-1.352013
-5.229256
other
K4Mn6S8
18
13
445.45
mp-704988
10.911857
7.785811
-7.071128
other
Ni4P10O30
44
13
588.82
mp-727278
11.834443
6.641548
-0.947161
other
Ca12Si12O38
62
13
913.85
mp-5769
9.664347
11.765132
-0.288167
other
Li6Sb2O8
16
13
149.67
mp-1042613
12.717755
10.876807
-0.547341
other
Y2W6O16
24
13
310.97
mp-1041785
7.264137
8.976333
-2.255431
other
Mg4Ag8O16
28
13
389.16
mp-3444
10.738811
10.354362
3.288239
other
Er2Ta2O8
12
13
144
mp-1207823
6.534079
6.007314
-3.815932
other
Y2Cl6O12
20
13
380.09
mp-1020361
12.821492
6.605095
-0.646158
other
Mg16Si16O48
80
13
887.84
mp-28038
-1.365788
0.798242
-3.798927
other
Nb4Te4Br12
20
13
643.06
mp-5985
10.577776
10.436113
3.310579
other
Ho2Ta2O8
12
13
145.6
mp-771238
9.905916
9.336753
0.783194
other
Y8Te4O24
36
13
471.55
mp-19435
10.381351
10.925488
-3.277272
other
Co2Mo2O8
12
13
127.23
mp-766102
11.335094
11.635487
2.368669
other
Ta8Mn4O24
36
13
437.4
mp-771309
9.995412
8.579213
2.944771
other
Eu8Y8O20
36
13
605.9
mp-1189007
6.593162
6.013708
-3.755278
other
Er2Cl6O12
20
13
330.19
mp-28216
11.795566
7.299575
0.441356
other
Lu12Ge8O34
54
13
717.4
mp-1197760
3.712124
2.561238
0.879151
other
P8H8N16
32
13
311.78
mp-541240
10.178093
6.358881
-0.757253
other
Sb12O8F20
40
13
666.51
mp-1020123
12.875613
6.635531
-0.645124
other
Mg16Si16O48
80
13
873.64
mp-532423
1.489162
2.426748
1.403327
other
Li36Fe10N24
70
13
647.06
mp-29148
10.662242
10.788656
-3.773876
other
Hg4Mo10O32
46
13
729.09
mp-5957
8.034512
9.83134
0.8349
other
Eu2Ta2O8
12
13
153.17
mp-1302713
7.381284
12.604437
-2.293789
other
Co6Te2O16
24
13
308.69
mp-1041572
9.867424
10.925353
-3.172471
other
Bi2W4O16
22
13
317.42
mp-1181490
6.636437
5.972147
-3.649032
other
Dy2Cl6O12
20
13
418.35
mp-1188682
6.531667
6.03156
-3.811095
other
Sm2Cl6O12
20
13
428.17
mp-1192382
8.582999
10.32697
-4.024797
other
V4Cu2O16
22
13
357.8
mp-608385
10.841817
11.490163
-2.197003
other
Mg2W2O8
12
13
144.6
mp-1392262
12.859154
10.621896
-0.423003
other
Ca2Mo4O10
16
13
243.97
mp-758829
8.524866
1.958578
0.231197
other
Nb8O4F32
44
13
779.25
mp-1101223
10.075129
2.108243
-0.215448
other
V8O4F32
44
13
710.64
mp-1247150
0.553201
2.498295
1.83814
other
Li4Mn24N28
56
13
579.15
mp-861445
10.819557
11.164644
-2.214091
other
In8W4O24
36
13
459.27
mp-19092
11.024926
11.357677
-2.482475
other
Co2W2O8
12
13
137.22
mp-581173
10.375454
8.106455
-0.214684
other
Cs40Si28O36
104
13
3,016.81
mp-1182764
7.388635
6.876954
-4.464308
other
Ca2B4O20
26
13
865.6
mp-756008
12.018459
11.25383
-1.870562
other
Ge2W2O8
12
13
159.18