Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_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
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
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 2101-594 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Rows: 25
10
25
50
100
200
Username
✕
Maximum stress
✕
Volume
✕
yangxb
0.001
2685.242
yangxb
0.001
2685.390
yangxb
0.001
2686.474
yangxb
0.001
2685.726
yangxb
0.001
2686.072
yangxb
0.001
2686.486
yangxb
0.001
2685.772
yangxb
0.001
2686.597
yangxb
0.001
2686.015
yangxb
0.001
2685.736
yangxb
0.001
2686.044
yangxb
0.001
2686.240
yangxb
0.001
2685.961
yangxb
0.001
2686.403
yangxb
0.001
2685.991
yangxb
0.001
2685.705
yangxb
0.001
2686.219
yangxb
0.001
2685.485
yangxb
0.001
2686.087
yangxb
0.001
2685.992
yangxb
0.001
2685.774
yangxb
0.000
2685.041
yangxb
0.001
2685.455
yangxb
0.001
2685.607
yangxb
0.001
2686.065
«
1
2
3
4
5
...
»