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 1526-17 out of 17
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)
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
✕
Maximum force
✕
1526
Au
8
Si
4
0.022
1527
Au
8
Si
4
0.005
1528
Au
8
Si
4
0.009
1529
Au
8
Si
4
0.043
1530
Au
8
Si
4
0.007
1531
Au
8
Si
4
0.010
1532
Au
8
Si
4
0.010
1533
Au
8
Si
4
0.015
1534
Au
8
Si
4
0.038
1535
Au
8
Si
4
0.025
1536
Au
8
Si
4
0.009
1537
Au
8
Si
4
0.048
1538
Au
8
Si
4
0.007
1539
Au
8
Si
4
0.008
1540
Au
8
Si
4
0.007
1541
Au
8
Si
4
0.006
1542
Au
8
Si
4
0.008
1543
Au
8
Si
4
0.035
1544
Au
8
Si
4
0.033
1545
Au
8
Si
4
0.010
1546
Au
8
Si
4
0.011
1547
Au
8
Si
4
0.013
1548
Au
8
Si
4
0.006
1549
Au
8
Si
4
0.017
1550
Au
8
Si
4
0.007
«
1
...
»