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 351-8 out of 8
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
✕
351
Au
16
Si
8
vasp
352
Au
16
Si
8
vasp
353
Au
16
Si
8
vasp
354
Au
16
Si
8
vasp
355
Au
16
Si
8
vasp
356
Au
16
Si
8
vasp
357
Au
16
Si
8
vasp
358
Au
16
Si
8
vasp
359
Au
16
Si
8
vasp
360
Au
16
Si
8
vasp
361
Au
16
Si
8
vasp
362
Au
16
Si
8
vasp
363
Au
16
Si
8
vasp
364
Au
16
Si
8
vasp
365
Au
16
Si
8
vasp
366
Au
16
Si
8
vasp
367
Au
16
Si
8
vasp
368
Au
16
Si
8
vasp
369
Au
16
Si
8
vasp
370
Au
16
Si
8
vasp
371
Au
16
Si
8
vasp
372
Au
16
Si
8
vasp
373
Au
16
Si
8
vasp
374
Au
16
Si
8
vasp
375
Au
16
Si
8
vasp
«
1
...
»