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 1-25 out of 414
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)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
perms_num
✕
Maximum force
✕
Username
✕
Mass
✕
PBC
✕
Volume
✕
1
0.010
mse-gucc
17285.869
TTT
8000.000
1
0.103
mse-gucc
17285.869
TTT
7502.572
1
0.514
mse-gucc
17285.869
TTT
4843.699
1
0.010
mse-gucc
17285.869
TTT
8000.000
1
0.777
mse-gucc
17285.869
TTT
4901.317
1
0.842
mse-gucc
17285.869
TTT
3491.818
1
0.043
mse-gucc
17285.869
TTT
7583.240
1
0.877
mse-gucc
17285.869
TTT
4326.471
2
0.009
mse-gucc
17285.869
TTT
8000.000
2
0.692
mse-gucc
17285.869
TTT
3306.728
1
0.295
mse-gucc
17285.869
TTT
3208.464
1
2.070
mse-gucc
17285.869
TTT
4843.897
1
0.668
mse-gucc
17285.869
TTT
4350.536
1
1.121
mse-gucc
17285.869
TTT
4919.381
1
0.866
mse-gucc
17285.869
TTT
5597.694
1
0.389
mse-gucc
17285.869
TTT
4564.732
2
0.062
mse-gucc
17285.869
TTT
7498.766
2
0.009
mse-gucc
17285.869
TTT
8000.000
1
0.008
mse-gucc
17285.869
TTT
8000.000
1
0.010
mse-gucc
17285.869
TTT
8000.000
1
1.042
mse-gucc
17285.869
TTT
5184.820
1
0.009
mse-gucc
17285.869
TTT
8000.000
1
0.008
mse-gucc
17285.869
TTT
8000.000
2
0.579
mse-gucc
17285.869
TTT
4740.028
1
0.010
mse-gucc
17285.869
TTT
8000.000
«
1
2
3
4
5
...
14
15
16
17
»