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)
Maximum force (fmax)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
ID
✕
Formula
✕
Mass
✕
↓
Maximum stress
✕
27
B
3
C
10
N
3
194.561
0.000
100
B
5
C
6
N
5
196.151
0.000
3
BC
14
N
192.971
0.000
65
B
4
C
8
N
4
195.356
0.000
124
B
7
C
2
N
7
197.741
0.000
34
B
3
C
10
N
3
194.561
0.000
59
B
4
C
8
N
4
195.356
0.000
8
B
2
C
12
N
2
193.766
0.000
76
B
4
C
8
N
4
195.356
0.000
125
B
7
C
2
N
7
197.741
0.000
29
B
3
C
10
N
3
194.561
0.000
89
B
4
C
8
N
4
195.356
0.000
99
B
5
C
6
N
5
196.151
0.000
122
B
6
C
4
N
6
196.946
0.000
71
B
4
C
8
N
4
195.356
0.000
91
B
4
C
8
N
4
195.356
0.000
97
B
5
C
6
N
5
196.151
0.000
60
B
4
C
8
N
4
195.356
0.000
61
B
4
C
8
N
4
195.356
0.000
77
B
4
C
8
N
4
195.356
0.000
37
B
3
C
10
N
3
194.561
0.000
51
B
3
C
10
N
3
194.561
0.000
44
B
3
C
10
N
3
194.561
0.000
56
B
4
C
8
N
4
195.356
0.000
23
B
3
C
10
N
3
194.561
0.000
«
1
2
»