Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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 1-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
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
✕
Calculator
✕
Maximum force
✕
PBC
✕
1
In
30
Mg
2
O
48
unknown
0.043
TTT
2
In
30
Mg
2
O
48
unknown
0.031
TTT
3
In
30
Mg
2
O
48
unknown
0.050
TTT
4
In
30
Mg
2
O
48
unknown
0.068
TTT
5
In
30
Mg
2
O
48
unknown
0.044
TTT
6
In
30
Mg
2
O
48
unknown
0.043
TTT
7
In
30
Mg
2
O
48
unknown
0.039
TTT
8
In
30
Mg
2
O
48
unknown
0.050
TTT
9
In
30
Mg
2
O
48
unknown
0.045
TTT
10
In
30
Mg
2
O
48
unknown
0.108
TTT
11
In
30
Mg
2
O
48
unknown
0.064
TTT
12
In
30
Mg
2
O
48
unknown
0.086
TTT
13
In
30
Mg
2
O
48
unknown
0.119
TTT
14
In
30
Mg
2
O
48
unknown
0.084
TTT
15
In
30
Mg
2
O
48
unknown
0.074
TTT
16
In
30
Mg
2
O
48
unknown
0.052
TTT
17
In
30
Mg
2
O
48
unknown
0.043
TTT
18
In
30
Mg
2
O
48
unknown
0.074
TTT
«
1
»