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 976-17 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)
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
✕
976
Au
8
Si
4
1688.073
977
Au
8
Si
4
1688.073
978
Au
8
Si
4
1688.073
979
Au
8
Si
4
1688.073
980
Au
8
Si
4
1688.073
981
Au
8
Si
4
1688.073
982
Au
8
Si
4
1688.073
983
Au
8
Si
4
1688.073
984
Au
8
Si
4
1688.073
985
Au
8
Si
4
1688.073
986
Au
8
Si
4
1688.073
987
Au
8
Si
4
1688.073
988
Au
8
Si
4
1688.073
989
Au
8
Si
4
1688.073
990
Au
8
Si
4
1688.073
991
Au
8
Si
4
1688.073
992
Au
8
Si
4
1688.073
993
Au
8
Si
4
1688.073
994
Au
8
Si
4
1688.073
995
Au
8
Si
4
1688.073
996
Au
8
Si
4
1688.073
997
Au
8
Si
4
1688.073
998
Au
8
Si
4
1688.073
999
Au
8
Si
4
1688.073
1000
Au
8
Si
4
1688.073
«
1
...
»