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
gap
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
symmetry_op_number
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1-25 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
gap
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
symmetry_op_number
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Mass
✕
Maximum stress
✕
1
-527.448
17285.869
0.000
2
-527.502
17285.869
0.000
3
-528.287
17285.869
0.000
4
-528.667
17285.869
0.000
5
-527.428
17285.869
0.000
6
-527.178
17285.869
0.000
7
-527.244
17285.869
0.000
8
-527.274
17285.869
0.000
9
-527.248
17285.869
0.000
10
-527.329
17285.869
0.000
11
-527.099
17285.869
0.000
12
-527.015
17285.869
0.000
13
-527.133
17285.869
0.000
14
-527.167
17285.869
0.000
15
-526.968
17285.869
0.000
16
-527.191
17285.869
0.000
17
-527.246
17285.869
0.000
18
-527.002
17285.869
0.000
19
-527.048
17285.869
0.000
20
-526.957
17285.869
0.000
21
-527.048
17285.869
0.000
22
-526.981
17285.869
0.000
23
-526.933
17285.869
0.000
24
-527.088
17285.869
0.000
25
-526.905
17285.869
0.000
«
1
2
»