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 376-400 out of 594
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
✕
376
Au
16
Si
8
3376.145
377
Au
16
Si
8
3376.145
378
Au
16
Si
8
3376.145
379
Au
16
Si
8
3376.145
380
Au
16
Si
8
3376.145
381
Au
16
Si
8
3376.145
382
Au
16
Si
8
3376.145
383
Au
16
Si
8
3376.145
384
Au
16
Si
8
3376.145
385
Au
16
Si
8
3376.145
386
Au
16
Si
8
3376.145
387
Au
16
Si
8
3376.145
388
Au
16
Si
8
3376.145
389
Au
16
Si
8
3376.145
390
Au
16
Si
8
3376.145
391
Au
16
Si
8
3376.145
392
Au
16
Si
8
3376.145
393
Au
16
Si
8
3376.145
394
Au
16
Si
8
3376.145
395
Au
16
Si
8
3376.145
396
Au
16
Si
8
3376.145
397
Au
16
Si
8
3376.145
398
Au
16
Si
8
3376.145
399
Au
16
Si
8
3376.145
400
Au
16
Si
8
3376.145
«
1
2
3
4
5
...
12
13
14
15
16
17
18
19
20
21
22
23
24
»