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 51-75 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
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Age
✕
Mass
✕
PBC
✕
Maximum stress
✕
Calculator
✕
Charge
✕
0.799
mse-gucc
2
4754.604
6y
17285.869
TTT
0.004
vasp
0.000
1.598
mse-gucc
1
4371.561
6y
17285.869
TTT
0.005
vasp
0.000
0.009
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
0.010
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
0.009
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
0.201
mse-gucc
2
7542.702
6y
17285.869
TTT
0.000
vasp
0.000
1.119
mse-gucc
1
5131.390
6y
17285.869
TTT
0.003
vasp
0.000
0.009
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
0.072
mse-gucc
1
7771.967
6y
17285.869
TTT
0.000
vasp
0.000
0.637
mse-gucc
2
6701.678
6y
17285.869
TTT
0.000
vasp
0.000
0.138
mse-gucc
1
7634.580
6y
17285.869
TTT
0.000
vasp
0.000
0.063
mse-gucc
2
7667.294
6y
17285.869
TTT
0.000
vasp
0.000
0.069
mse-gucc
1
7682.687
6y
17285.869
TTT
0.000
vasp
0.000
0.076
mse-gucc
2
7721.960
6y
17285.869
TTT
0.000
vasp
0.000
0.072
mse-gucc
2
7679.189
6y
17285.869
TTT
0.000
vasp
0.000
0.042
mse-gucc
1
7821.192
6y
17285.869
TTT
0.000
vasp
0.000
0.047
mse-gucc
1
7625.606
6y
17285.869
TTT
0.000
vasp
0.000
0.026
mse-gucc
2
7729.419
6y
17285.869
TTT
0.000
vasp
0.000
0.182
mse-gucc
1
7492.515
6y
17285.869
TTT
0.000
vasp
0.000
0.075
mse-gucc
2
7771.328
6y
17285.869
TTT
0.000
vasp
0.000
0.110
mse-gucc
2
7584.493
6y
17285.869
TTT
0.000
vasp
0.000
0.709
mse-gucc
1
6626.567
6y
17285.869
TTT
0.001
vasp
0.000
0.143
mse-gucc
2
7562.596
6y
17285.869
TTT
0.000
vasp
0.000
0.441
mse-gucc
1
6506.858
6y
17285.869
TTT
0.000
vasp
0.000
0.009
mse-gucc
1
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
«
1
2
3
4
5
6
7
...
14
15
16
17
»