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 26-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Au_rate
✕
Energy
✕
Calculator
✕
PBC
✕
E
✕
26
Au
10
Si
4
0.714
-50.373
vasp
TTT
0.236
27
Au
10
Si
4
0.714
-50.380
vasp
TTT
0.236
28
Au
10
Si
4
0.714
-50.378
vasp
TTT
0.236
29
Au
10
Si
4
0.714
-50.370
vasp
TTT
0.236
30
Au
10
Si
4
0.714
-50.379
vasp
TTT
0.236
31
Au
10
Si
4
0.714
-50.380
vasp
TTT
0.236
32
Au
10
Si
4
0.714
-50.383
vasp
TTT
0.235
33
Au
10
Si
4
0.714
-50.372
vasp
TTT
0.236
34
Au
10
Si
4
0.714
-50.365
vasp
TTT
0.237
35
Au
10
Si
4
0.714
-50.370
vasp
TTT
0.236
36
Au
10
Si
4
0.714
-50.375
vasp
TTT
0.236
37
Au
10
Si
4
0.714
-50.371
vasp
TTT
0.236
38
Au
10
Si
4
0.714
-50.378
vasp
TTT
0.236
39
Au
10
Si
4
0.714
-50.380
vasp
TTT
0.236
40
Au
10
Si
4
0.714
-50.379
vasp
TTT
0.236
41
Au
10
Si
4
0.714
-50.380
vasp
TTT
0.236
42
Au
10
Si
4
0.714
-50.381
vasp
TTT
0.235
43
Au
10
Si
4
0.714
-50.378
vasp
TTT
0.236
44
Au
10
Si
4
0.714
-50.365
vasp
TTT
0.237
45
Au
10
Si
4
0.714
-50.382
vasp
TTT
0.235
46
Au
10
Si
4
0.714
-50.373
vasp
TTT
0.236
47
Au
10
Si
4
0.714
-50.376
vasp
TTT
0.236
48
Au
10
Si
4
0.714
-50.381
vasp
TTT
0.235
49
Au
10
Si
4
0.714
-50.377
vasp
TTT
0.236
50
Au
10
Si
4
0.714
-50.373
vasp
TTT
0.236
«
1
»