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 1-17 out of 17
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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
PBC
✕
Volume
✕
1
-186.489
TTT
1350.429
2
-224.231
TTT
1610.767
3
-99.359
TTT
1073.421
4
-262.002
TTT
1848.329
5
-299.763
TTT
2127.808
6
-74.778
TTT
799.518
7
-137.168
TTT
1455.555
8
-136.877
TTT
1454.769
9
-262.074
TTT
1865.752
10
-299.820
TTT
2119.239
11
-337.609
TTT
2392.389
12
-112.169
TTT
1181.800
13
-337.635
TTT
2379.258
14
-375.361
TTT
2646.235
15
-149.943
TTT
1562.841
16
-187.661
TTT
1323.935
17
-225.498
TTT
1585.469
«
1
»