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
perms_num
perms_number
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 1-25 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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Energy
✕
1
8000.000
-664.129
2
8000.000
-659.249
3
8000.000
-661.409
4
8000.000
-660.159
5
8000.000
-661.937
6
8000.000
-664.129
7
8000.000
-660.996
8
8000.000
-661.328
9
8000.000
-660.030
10
8000.000
-663.098
11
8000.000
-663.370
12
8000.000
-663.622
13
8000.000
-661.471
14
8000.000
-662.397
15
8000.000
-662.046
16
8000.000
-662.488
17
8000.000
-662.922
18
8000.000
-662.253
19
8000.000
-661.658
20
8000.000
-662.636
21
8000.000
-661.610
22
8000.000
-662.040
23
8000.000
-660.932
24
8000.000
-661.412
25
8000.000
-662.370
«
1
2
»