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 76-8 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)
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
✕
Charge
✕
76
Au
10
Si
4
0.000
77
Au
10
Si
4
0.000
78
Au
10
Si
4
0.000
79
Au
10
Si
4
0.000
80
Au
10
Si
4
0.000
81
Au
10
Si
4
0.000
82
Au
10
Si
4
0.000
83
Au
10
Si
4
0.000
84
Au
10
Si
4
0.000
85
Au
10
Si
4
0.000
86
Au
10
Si
4
0.000
87
Au
10
Si
4
0.000
88
Au
10
Si
4
0.000
89
Au
20
Si
8
0.000
90
Au
10
Si
6
0.000
91
Au
10
Si
6
0.000
92
Au
10
Si
6
0.000
93
Au
10
Si
6
0.000
94
Au
10
Si
6
0.000
95
Au
10
Si
6
0.000
96
Au
10
Si
6
0.000
97
Au
10
Si
6
0.000
98
Au
10
Si
6
0.000
99
Au
10
Si
6
0.000
100
Au
10
Si
6
0.000
«
1
»