Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
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
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 276-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
276
Au
8
Si
4
0.000
277
Au
8
Si
4
0.000
278
Au
8
Si
4
0.000
279
Au
8
Si
4
0.000
280
Au
8
Si
4
0.000
281
Au
8
Si
4
0.000
282
Au
8
Si
4
0.000
283
Au
8
Si
4
0.000
284
Au
8
Si
4
0.000
285
Au
8
Si
4
0.000
286
Au
8
Si
4
0.000
287
Au
8
Si
4
0.000
288
Au
8
Si
4
0.000
289
Au
8
Si
4
0.000
290
Au
8
Si
4
0.000
291
Au
8
Si
4
0.000
292
Au
8
Si
4
0.000
293
Au
8
Si
4
0.000
294
Au
8
Si
4
0.000
295
Au
8
Si
4
0.000
296
Au
8
Si
4
0.000
297
Au
8
Si
4
0.000
298
Au
8
Si
4
0.000
299
Au
8
Si
4
0.000
300
Au
8
Si
4
0.000
«
1
...
»