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-667803
8.233238
9.810515
1.925209
other
Nd12Cu12O30
54
15
680.48
mp-23720
3.377168
-0.70403
-2.265973
other
Be2Al2H10
14
15
121.11
mp-1203930
6.21689
4.970359
-4.624106
other
Sm8N24O72
104
15
1,363.53
mp-1312265
12.628692
13.241986
-0.947879
other
Na2V4O8
14
15
166.1
mp-554626
6.870755
6.035939
-3.15028
other
Ba2Br4O12
18
15
326.1
mp-683907
9.968479
9.356031
-2.171607
other
Yb4Te8O22
34
15
557.76
mp-1043245
8.856816
8.22061
-3.572904
other
Co2Ge4O12
18
15
234.13
mp-561407
-3.764614
-1.374494
-5.618063
other
Rb8Ga8S16
32
15
848.61
mp-1182563
7.669758
6.529867
-4.821723
other
Ce4S6O36
46
15
831.11
mp-570340
1.768497
2.623509
-5.085611
other
Ag2Au2Cl8
12
15
309.11
mp-1442904
9.190258
0.659885
-0.015496
other
Ca2Cu2F10
14
15
202.89
mp-542148
7.815467
2.379315
-1.343538
other
Sb8N20F44
72
15
1,196.68
mp-561086
12.644286
6.315185
-0.390857
other
Ca12Si12O36
60
15
819.32
mp-571324
5.177675
2.753361
-3.661619
other
C6N6Cl6
18
15
320.54
mp-29976
-3.235589
-1.316556
-5.663206
other
Na6B2S6
14
15
285.61
mp-625377
8.064013
4.470927
-4.533884
other
H4N4O4
12
15
128.81
mp-1247045
1.459998
1.781388
2.117158
other
Sr6Ta4N8
18
15
346.1
mp-1190439
-7.879936
-2.586035
5.22936
other
Sm4Co6Ge10
20
15
333.99
mp-1208560
1.653473
2.608025
-4.687932
other
Ta2Tl2Cl12
16
15
437.63
mp-559154
10.646877
11.431853
2.164922
other
Ti8Bi4O22
34
15
417.43
mp-31247
10.191991
9.467094
-1.954152
other
Eu4Te8O22
34
15
511.96
mp-755617
9.740448
8.4098
3.257367
other
Na4Ho4O8
16
15
212.67
mp-542596
-3.52296
-1.284715
-5.260077
other
Hg4Sb16S32
52
15
1,309.91
mp-1314325
6.718663
19.701429
-0.33708
other
Li10Mn6O16
32
15
285.21
mp-26840
14.76948
8.207112
-5.628193
other
Cr8P6O24
38
15
475.81
mp-3073
10.455377
9.303654
-1.946845
other
Sm4Te8O22
34
15
509.82
mp-561430
8.867316
1.18647
1.656868
other
Li2Lu2F8
12
15
132.85
mp-1176731
10.324817
1.950552
2.292813
other
Li2Fe4F10
16
15
200.97
mp-753005
10.780066
-0.071057
0.596287
other
Li4Mn4F14
22
15
270.7
mp-772610
8.978442
6.895779
-4.065742
other
Ho4Se6O24
34
15
441.72
mp-1105233
11.489015
7.633591
-3.83439
other
Ba2As4O12
18
15
257.69
mp-567694
-0.443778
0.708481
-2.409925
other
La4C4Cl2
10
15
210.09
mp-1239063
7.688508
7.436766
-3.937139
other
Mn2Se2O10
14
15
191.39
mp-8230
12.95985
6.429779
-6.581784
other
Zn2P4O12
18
15
203.44
mp-1246226
2.255332
2.344853
1.470267
other
Ti2Sn8N8
18
15
338.75
mp-772798
9.384169
8.486963
2.91638
other
Ba6La12O24
42
15
848.14
mp-1221657
12.265099
13.114869
-0.732084
other
Mn10V8O24
42
15
466
mp-1245653
4.583384
2.386776
-3.222512
other
Au4C8N12
24
15
547
mp-11677
-4.660884
-5.212201
0.45711
other
Sr6Si4As8
18
15
489.04
mp-1210259
6.790851
8.644255
-1.583531
other
Na10Pr2O12
24
15
351.55
mp-1195066
-4.104146
-1.622573
-5.066002
other
Cs14Fe8S16
38
15
1,242.62
mp-1203434
9.919006
0.883135
1.363429
other
Na16Fe16F56
88
15
1,191.5
mp-780960
7.560932
5.123999
-1.813849
other
Li10Au2O8
20
15
213.96
mp-1246188
0.773847
2.55517
1.849068
other
Zn6Fe4N8
18
15
193.76
mp-555540
13.089413
7.616657
-7.160869
other
Cr4P12O36
52
15
668.74
mp-11928
-7.765517
-4.366982
6.141899
other
Pr4Al2Co4
10
15
203.28
mp-1219817
8.611476
1.459928
1.217432
other
Pr2Zr6F30
38
15
525.43
mp-1179177
7.406946
6.828445
-4.272529
other
U4Se4O40
48
15
869.55
mp-553925
13.815358
4.134114
-2.345398
other
Rb10B38O62
110
15
1,391.44
mp-1103890
7.808598
7.018379
-4.621147
other
Zn2S2O10
14
15
182.36
mp-4709
10.60329
10.650794
3.218752
other
Pr2Nb2O8
12
15
164.85
mp-704535
10.545172
10.711409
-3.783357
other
Tl4Mo14O44
62
15
970.49
mp-1214983
6.733179
4.902188
-4.611296
other
Ba2C8O20
30
15
600.39
mp-757063
7.316244
13.14146
-1.059081
other
Li4Ni8O12
24
15
204.51
mp-1173855
9.620255
8.626448
3.041694
other
Na24Ce12O36
72
15
1,053.95
mp-1402445
8.764654
1.711187
1.005459
other
Zn2Sn2F10
14
15
228.08
mp-561569
8.382521
1.752214
0.509636
other
Cs2Sb4F14
20
15
378.31
mp-504231
10.935901
7.996738
-7.155249
other
Co4P6O20
30
15
481.12
mp-16969
11.943637
6.977484
0.696218
other
Lu8Si4O20
32
15
400.69
mp-1200269
7.719767
6.828921
-4.650265
other
U4C4O24
32
15
623.19
mp-16811
10.482846
10.58206
0.689262
other
Ho8Mo4O24
36
15
450.69
mp-893071
9.970819
8.9658
-2.699903
other
Ag4Te2O8
14
15
227.17
mp-863762
-4.699002
-3.138304
-4.010478
other
Al8Tl8Se16
32
15
908.24
mp-1194583
-4.445823
-3.098046
-3.698786
other
Ba12Sb8Se28
48
15
1,629.8
mp-554229
11.232869
7.810918
-3.890022
other
Cs2As6O16
24
15
354.38
mp-1180468
8.394983
6.410296
-4.187006
other
Mg4Si4O12
20
15
321.56
mp-690733
10.103311
4.784748
-5.377762
other
H4S2O8
14
15
149.12
mp-1289227
12.756339
13.190374
-0.804277
other
Li6V8O16
30
15
308.33
mp-26952
12.074378
7.262147
-7.026327
other
Sb2P8O24
34
15
435.58
mp-723122
6.291755
6.416971
-4.141424
other
Co2N4O24
30
15
535.83
mp-1214151
7.858044
7.003179
-4.778834
other
Ca2P2O12
16
15
251.49
mp-1642011
6.311696
13.021156
-2.730395
other
Co8O12F4
24
15
239.86
mp-697797
12.703403
8.206555
-7.328099
other
V2P8O24
34
15
459.92
mp-569380
-1.090448
1.639742
-1.652858
other
Ba2Ce2I8
12
15
506.5
mp-567913
-4.564143
-2.525112
-3.713021
other
Cs2Au2Se6
10
15
330.11
mp-674176
6.354772
9.525107
-1.504718
other
Li8Pb4O12
24
15
262.63
mp-5370
10.678291
10.453299
3.224163
other
Er2Nb2O8
12
15
145.44
mp-1247169
0.607523
2.454571
1.917253
other
Y4Fe6N8
18
15
219.97
mp-1404453
9.234327
2.264562
1.319069
other
Zn2Mo2F10
14
15
210.37
mp-15254
9.583863
0.948699
1.175803
other
Li18Al6F36
60
15
567.06
mp-1177753
5.379196
10.76642
-2.115687
other
Li6Fe4O12
22
15
210.98
mp-1020632
13.851808
4.151955
-2.397451
other
Rb4B12O20
36
15
405.04
mp-731710
6.717795
6.25161
-3.561598
other
Sr2Br4O14
20
15
322.05
mp-1204238
11.37539
6.78101
-1.328068
other
Ca12Si12O38
62
15
877.65
mp-561620
-3.746412
-1.22608
-5.581955
other
Ag12As4S12
28
15
609.21
mp-774738
12.633183
11.631537
1.970178
other
Mg2Ti28O50
80
15
947.87
mp-1247316
1.931284
2.501612
1.35214
other
Ta4Pb8N12
24
15
466.67
mp-989628
1.017184
2.369287
1.799455
other
Y4Re4N12
20
15
318.28
mp-1224239
10.282248
4.352768
-6.804211
other
K4S2O8
14
15
241.25
mp-1181396
9.67088
7.380717
-6.442265
other
Fe2P6O22
30
15
433.01
mp-1246163
1.174237
2.700289
1.721786
other
Cr4Pb6N8
18
15
314.54
mp-1213393
7.602921
1.910767
-4.275615
other
H54C36N66
156
15
1,625.89
mp-755840
11.958804
10.78651
1.989092
other
Nb4Sb2O12
18
15
243.65
mp-1246157
1.16833
2.056116
1.877198
other
Sr6Cr4N8
18
15
274.14
mp-15382
13.162167
6.549126
-6.90764
other
Tm4P20O56
80
15
1,049.99
mp-568857
1.373944
2.534051
-5.818335
other
Rb4Cu4Cl12
20
15
536.59
mp-559767
11.755259
7.352691
-4.512339
other
Li4As4O12
20
15
229.16
mp-1209910
11.256492
11.219703
-2.66254
other
Pm4W6O24
34
15
487.14
mp-760580
9.492252
0.623384
0.90462
other
Li4Ag2F6
12
15
141.18
mp-1395450
9.547997
1.01808
1.018947
other
Mg2Cr2F10
14
15
177.39