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 1401-1425 out of 2180
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)
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
✕
1401
Au
8
Si
4
1402
Au
8
Si
4
1403
Au
8
Si
4
1404
Au
8
Si
4
1405
Au
8
Si
4
1406
Au
8
Si
4
1407
Au
8
Si
4
1408
Au
8
Si
4
1409
Au
8
Si
4
1410
Au
8
Si
4
1411
Au
8
Si
4
1412
Au
8
Si
4
1413
Au
8
Si
4
1414
Au
8
Si
4
1415
Au
8
Si
4
1416
Au
8
Si
4
1417
Au
8
Si
4
1418
Au
8
Si
4
1419
Au
8
Si
4
1420
Au
8
Si
4
1421
Au
8
Si
4
1422
Au
8
Si
4
1423
Au
8
Si
4
1424
Au
8
Si
4
1425
Au
8
Si
4
«
1
2
3
4
5
...
53
54
55
56
57
58
59
60
61
...
85
86
87
88
»