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
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Maximum force
✕
Mass
✕
Age
✕
1
-664.129
0.008
17285.869
6y
2
-659.249
0.009
17285.869
6y
3
-661.409
0.009
17285.869
6y
4
-660.159
0.007
17285.869
6y
5
-661.937
0.010
17285.869
6y
6
-664.129
0.008
17285.869
6y
7
-660.996
0.009
17285.869
6y
8
-661.328
0.007
17285.869
6y
9
-660.030
0.009
17285.869
6y
10
-663.098
0.009
17285.869
6y
11
-663.370
0.009
17285.869
6y
12
-663.622
0.007
17285.869
6y
13
-661.471
0.010
17285.869
6y
14
-662.397
0.009
17285.869
6y
15
-662.046
0.008
17285.869
6y
16
-662.488
0.009
17285.869
6y
17
-662.922
0.009
17285.869
6y
18
-662.253
0.010
17285.869
6y
19
-661.658
0.009
17285.869
6y
20
-662.636
0.009
17285.869
6y
21
-661.610
0.008
17285.869
6y
22
-662.040
0.010
17285.869
6y
23
-660.932
0.009
17285.869
6y
24
-661.412
0.035
17285.869
6y
25
-662.370
0.010
17285.869
6y
«
1
2
»