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 1-25 out of 31
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)
gap
Magnetic moment (magmom)
mean_energy
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Mass
✕
Maximum stress
✕
Maximum force
✕
PBC
✕
1
BC
14
N
16
192.971
0.000
0.009
TTT
2
BC
14
N
16
192.971
0.000
0.002
TTT
3
BC
14
N
16
192.971
0.000
0.009
TTT
4
BC
14
N
16
192.971
0.000
0.005
TTT
5
B
2
C
12
N
2
16
193.766
0.000
0.004
TTT
6
B
2
C
12
N
2
16
193.766
0.000
0.013
TTT
7
B
2
C
12
N
2
16
193.766
0.000
0.007
TTT
8
B
2
C
12
N
2
16
193.766
0.000
0.004
TTT
9
B
2
C
12
N
2
16
193.766
0.000
0.006
TTT
10
B
2
C
12
N
2
16
193.766
0.000
0.004
TTT
11
B
2
C
12
N
2
16
193.766
0.000
0.007
TTT
12
B
2
C
12
N
2
16
193.766
0.001
0.008
TTT
13
B
2
C
12
N
2
16
193.766
0.000
0.007
TTT
14
B
2
C
12
N
2
16
193.766
0.000
0.007
TTT
15
B
2
C
12
N
2
16
193.766
0.000
0.009
TTT
16
B
2
C
12
N
2
16
193.766
0.000
0.006
TTT
17
B
2
C
12
N
2
16
193.766
0.000
0.009
TTT
18
B
2
C
12
N
2
16
193.766
0.000
0.008
TTT
19
B
2
C
12
N
2
16
193.766
0.000
0.008
TTT
20
B
2
C
12
N
2
16
193.766
0.001
0.008
TTT
21
B
2
C
12
N
2
16
193.766
0.000
0.008
TTT
22
B
2
C
12
N
2
16
193.766
0.000
0.009
TTT
23
B
3
C
10
N
3
16
194.561
0.000
0.009
TTT
24
B
3
C
10
N
3
16
194.561
0.000
0.007
TTT
25
B
3
C
10
N
3
16
194.561
0.000
0.005
TTT
«
1
2
»