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 51-8 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)
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Energy
✕
Number of atoms
✕
PBC
✕
51
Au
10
Si
4
0.000
-50.366
14
TTT
52
Au
10
Si
4
0.000
-50.363
14
TTT
53
Au
10
Si
4
0.000
-50.364
14
TTT
54
Au
10
Si
4
0.000
-50.381
14
TTT
55
Au
10
Si
4
0.000
-50.369
14
TTT
56
Au
10
Si
4
0.000
-50.380
14
TTT
57
Au
10
Si
4
0.000
-50.381
14
TTT
58
Au
10
Si
4
0.000
-50.374
14
TTT
59
Au
10
Si
4
0.000
-50.363
14
TTT
60
Au
10
Si
4
0.000
-50.375
14
TTT
61
Au
10
Si
4
0.000
-50.366
14
TTT
62
Au
10
Si
4
0.000
-50.375
14
TTT
63
Au
10
Si
4
0.000
-50.369
14
TTT
64
Au
10
Si
4
0.000
-50.366
14
TTT
65
Au
10
Si
4
0.000
-50.361
14
TTT
66
Au
10
Si
4
0.000
-50.374
14
TTT
67
Au
10
Si
4
0.000
-50.370
14
TTT
68
Au
10
Si
4
0.000
-50.379
14
TTT
69
Au
10
Si
4
0.000
-50.371
14
TTT
70
Au
10
Si
4
0.000
-50.379
14
TTT
71
Au
10
Si
4
0.000
-50.374
14
TTT
72
Au
10
Si
4
0.000
-50.379
14
TTT
73
Au
10
Si
4
0.000
-50.377
14
TTT
74
Au
10
Si
4
0.000
-50.369
14
TTT
75
Au
10
Si
4
0.000
-50.374
14
TTT
«
1
»