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
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 326-350 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
perms_num
✕
Maximum force
✕
Username
✕
Mass
✕
PBC
✕
Volume
✕
Charge
✕
Age
✕
Maximum stress
✕
Calculator
✕
1
0.348
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.001
vasp
2
0.334
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.001
vasp
1
0.239
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.145
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.054
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.029
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.051
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.101
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.229
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.372
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.001
vasp
2
0.253
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.024
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.008
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.018
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.012
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.011
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.014
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.016
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.030
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.008
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.007
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.022
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
1
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
2
0.017
mse-gucc
17285.869
TTT
8000.000
0.000
6y
0.000
vasp
«
1
2
3
4
5
...
10
11
12
13
14
15
16
17
»