Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
C_rate
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
mean_energy
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 26-50 out of 127
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)
Total energy (energy)
Maximum force (fmax)
gap
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
C_rate
✕
26
B
3
C
10
N
3
0.625
27
B
3
C
10
N
3
0.625
28
B
3
C
10
N
3
0.625
29
B
3
C
10
N
3
0.625
30
B
3
C
10
N
3
0.625
31
B
3
C
10
N
3
0.625
32
B
3
C
10
N
3
0.625
33
B
3
C
10
N
3
0.625
34
B
3
C
10
N
3
0.625
35
B
3
C
10
N
3
0.625
36
B
3
C
10
N
3
0.625
37
B
3
C
10
N
3
0.625
38
B
3
C
10
N
3
0.625
39
B
3
C
10
N
3
0.625
40
B
3
C
10
N
3
0.625
41
B
3
C
10
N
3
0.625
42
B
3
C
10
N
3
0.625
43
B
3
C
10
N
3
0.625
44
B
3
C
10
N
3
0.625
45
B
3
C
10
N
3
0.625
46
B
3
C
10
N
3
0.625
47
B
3
C
10
N
3
0.625
48
B
3
C
10
N
3
0.625
49
B
3
C
10
N
3
0.625
50
B
3
C
10
N
3
0.625
«
1
2
3
4
5
6
»