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 1351-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
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
✕
Calculator
✕
1351
Au
8
Si
4
vasp
1352
Au
8
Si
4
vasp
1353
Au
8
Si
4
vasp
1354
Au
8
Si
4
vasp
1355
Au
8
Si
4
vasp
1356
Au
8
Si
4
vasp
1357
Au
8
Si
4
vasp
1358
Au
8
Si
4
vasp
1359
Au
8
Si
4
vasp
1360
Au
8
Si
4
vasp
1361
Au
8
Si
4
vasp
1362
Au
8
Si
4
vasp
1363
Au
8
Si
4
vasp
1364
Au
8
Si
4
vasp
1365
Au
8
Si
4
vasp
1366
Au
8
Si
4
vasp
1367
Au
8
Si
4
vasp
1368
Au
8
Si
4
vasp
1369
Au
8
Si
4
vasp
1370
Au
8
Si
4
vasp
1371
Au
8
Si
4
vasp
1372
Au
8
Si
4
vasp
1373
Au
8
Si
4
vasp
1374
Au
8
Si
4
vasp
1375
Au
8
Si
4
vasp
«
1
2
...
»