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 1501-414 out of 414
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)
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
✕
Mass
✕
1501
Au
8
Si
4
1688.073
1502
Au
8
Si
4
1688.073
1503
Au
8
Si
4
1688.073
1504
Au
8
Si
4
1688.073
1505
Au
8
Si
4
1688.073
1506
Au
8
Si
4
1688.073
1507
Au
8
Si
4
1688.073
1508
Au
8
Si
4
1688.073
1509
Au
8
Si
4
1688.073
1510
Au
8
Si
4
1688.073
1511
Au
8
Si
4
1688.073
1512
Au
8
Si
4
1688.073
1513
Au
8
Si
4
1688.073
1514
Au
8
Si
4
1688.073
1515
Au
8
Si
4
1688.073
1516
Au
8
Si
4
1688.073
1517
Au
8
Si
4
1688.073
1518
Au
8
Si
4
1688.073
1519
Au
8
Si
4
1688.073
1520
Au
8
Si
4
1688.073
1521
Au
8
Si
4
1688.073
1522
Au
8
Si
4
1688.073
1523
Au
8
Si
4
1688.073
1524
Au
8
Si
4
1688.073
1525
Au
8
Si
4
1688.073
«
1
2
3
4
5
...
»