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
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Maximum stress
✕
Maximum force
✕
Username
✕
1
17285.869
0.000
0.008
hecc
2
17285.869
0.000
0.009
hecc
3
17285.869
0.000
0.009
hecc
4
17285.869
0.000
0.007
hecc
5
17285.869
0.000
0.010
hecc
6
17285.869
0.000
0.008
hecc
7
17285.869
0.000
0.009
hecc
8
17285.869
0.000
0.007
hecc
9
17285.869
0.000
0.009
hecc
10
17285.869
0.000
0.009
hecc
11
17285.869
0.000
0.009
hecc
12
17285.869
0.000
0.007
hecc
13
17285.869
0.000
0.010
hecc
14
17285.869
0.000
0.009
hecc
15
17285.869
0.000
0.008
hecc
16
17285.869
0.000
0.009
hecc
17
17285.869
0.000
0.009
hecc
18
17285.869
0.000
0.010
hecc
19
17285.869
0.000
0.009
hecc
20
17285.869
0.000
0.009
hecc
21
17285.869
0.000
0.008
hecc
22
17285.869
0.000
0.010
hecc
23
17285.869
0.000
0.009
hecc
24
17285.869
0.000
0.035
hecc
25
17285.869
0.000
0.010
hecc
«
1
2
»