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 176-17 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
✕
176
Au
8
Si
4
1688.073
177
Au
8
Si
4
1688.073
178
Au
8
Si
4
1688.073
179
Au
8
Si
4
1688.073
180
Au
8
Si
4
1688.073
181
Au
8
Si
4
1688.073
182
Au
8
Si
4
1688.073
183
Au
8
Si
4
1688.073
184
Au
8
Si
4
1688.073
185
Au
8
Si
4
1688.073
186
Au
8
Si
4
1688.073
187
Au
8
Si
4
1688.073
188
Au
8
Si
4
1688.073
189
Au
8
Si
4
1688.073
190
Au
8
Si
4
1688.073
191
Au
8
Si
4
1688.073
192
Au
8
Si
4
1688.073
193
Au
8
Si
4
1688.073
194
Au
8
Si
4
1688.073
195
Au
8
Si
4
1688.073
196
Au
8
Si
4
1688.073
197
Au
8
Si
4
1688.073
198
Au
8
Si
4
1688.073
199
Au
8
Si
4
1688.073
200
Au
8
Si
4
1688.073
«
1
...
»