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 1026-31 out of 31
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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Maximum stress
✕
1026
0.041
0.001
1027
0.019
0.001
1028
0.010
0.001
1029
0.012
0.001
1030
0.007
0.001
1031
0.007
0.001
1032
0.009
0.001
1033
0.004
0.000
1034
0.016
0.001
1035
0.010
0.001
1036
0.004
0.001
1037
0.010
0.001
1038
0.010
0.001
1039
0.009
0.001
1040
0.010
0.001
1041
0.005
0.001
1042
0.303
0.001
1043
0.008
0.001
1044
0.024
0.001
1045
0.007
0.001
1046
0.073
0.001
1047
0.009
0.001
1048
0.035
0.001
1049
0.008
0.001
1050
0.009
0.001
«
1
2
...
»