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 2001-31 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
✕
2001
Au
10
Si
4
vasp
2002
Au
10
Si
4
vasp
2003
Au
10
Si
4
vasp
2004
Au
10
Si
4
vasp
2005
Au
10
Si
4
vasp
2006
Au
10
Si
4
vasp
2007
Au
10
Si
4
vasp
2008
Au
10
Si
4
vasp
2009
Au
10
Si
4
vasp
2010
Au
10
Si
4
vasp
2011
Au
10
Si
4
vasp
2012
Au
10
Si
4
vasp
2013
Au
10
Si
4
vasp
2014
Au
10
Si
4
vasp
2015
Au
10
Si
4
vasp
2016
Au
10
Si
4
vasp
2017
Au
10
Si
4
vasp
2018
Au
10
Si
4
vasp
2019
Au
10
Si
4
vasp
2020
Au
10
Si
4
vasp
2021
Au
10
Si
4
vasp
2022
Au
10
Si
4
vasp
2023
Au
10
Si
4
vasp
2024
Au
10
Si
4
vasp
2025
Au
10
Si
4
vasp
«
1
2
...
»