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 1326-8 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
✕
1326
Au
8
Si
4
0.000
1327
Au
8
Si
4
0.000
1328
Au
8
Si
4
0.000
1329
Au
8
Si
4
0.000
1330
Au
8
Si
4
0.000
1331
Au
8
Si
4
0.000
1332
Au
8
Si
4
0.000
1333
Au
8
Si
4
0.000
1334
Au
8
Si
4
0.000
1335
Au
8
Si
4
0.000
1336
Au
8
Si
4
0.000
1337
Au
8
Si
4
0.000
1338
Au
8
Si
4
0.000
1339
Au
8
Si
4
0.000
1340
Au
8
Si
4
0.000
1341
Au
8
Si
4
0.000
1342
Au
8
Si
4
0.000
1343
Au
8
Si
4
0.000
1344
Au
8
Si
4
0.000
1345
Au
8
Si
4
0.000
1346
Au
8
Si
4
0.000
1347
Au
8
Si
4
0.000
1348
Au
8
Si
4
0.000
1349
Au
8
Si
4
0.000
1350
Au
8
Si
4
0.000
«
1
...
»