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
C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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
✕
gap
✕
26
B
3
C
10
N
3
0.802
27
B
3
C
10
N
3
2.561
28
B
3
C
10
N
3
1.335
29
B
3
C
10
N
3
0.561
30
B
3
C
10
N
3
2.078
31
B
3
C
10
N
3
1.166
32
B
3
C
10
N
3
1.899
33
B
3
C
10
N
3
0.422
34
B
3
C
10
N
3
1.247
35
B
3
C
10
N
3
1.240
36
B
3
C
10
N
3
1.343
37
B
3
C
10
N
3
0.914
38
B
3
C
10
N
3
1.235
39
B
3
C
10
N
3
0.023
40
B
3
C
10
N
3
2.757
41
B
3
C
10
N
3
0.061
42
B
3
C
10
N
3
0.008
43
B
3
C
10
N
3
0.691
44
B
3
C
10
N
3
2.031
45
B
3
C
10
N
3
1.648
46
B
3
C
10
N
3
0.087
47
B
3
C
10
N
3
1.950
48
B
3
C
10
N
3
0.123
49
B
3
C
10
N
3
0.820
50
B
3
C
10
N
3
1.110
«
1
2
3
4
5
6
»