Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 326-350 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Age
✕
Energy
✕
326
C
60
H
18
8000.000
52M
-585.987
327
C
60
H
18
8000.000
52M
-585.637
328
C
60
H
18
8000.000
52M
-589.778
329
C
60
H
18
8000.000
52M
-590.265
330
C
60
H
18
8000.000
52M
-583.926
331
C
60
H
18
8000.000
52M
-584.300
332
C
60
H
18
8000.000
52M
-586.606
333
C
60
H
18
8000.000
52M
-586.599
334
C
60
H
18
8000.000
52M
-586.621
335
C
60
H
18
8000.000
52M
-587.112
336
C
60
H
18
8000.000
52M
-585.413
337
C
60
H
18
8000.000
52M
-585.337
338
C
60
H
18
8000.000
52M
-596.031
339
C
60
H
18
8000.000
52M
-596.111
340
C
60
H
18
8000.000
52M
-595.494
341
C
60
H
18
8000.000
52M
-593.057
342
C
60
H
18
8000.000
52M
-591.502
343
C
60
H
18
8000.000
52M
-591.422
344
C
60
H
18
8000.000
52M
-595.352
345
C
60
H
18
8000.000
52M
-592.454
346
C
60
H
18
8000.000
52M
-593.764
347
C
60
H
18
8000.000
52M
-595.722
348
C
60
H
18
8000.000
52M
-591.523
349
C
60
H
18
8000.000
52M
-596.450
350
C
60
H
18
8000.000
52M
-596.376
«
1
2
3
4
5
...
10
11
12
13
14
15
16
17
»