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 726-8 out of 8
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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
726
Au
16
Si
8
yangxb
727
Au
16
Si
8
yangxb
728
Au
16
Si
8
yangxb
729
Au
16
Si
8
yangxb
730
Au
16
Si
8
yangxb
731
Au
16
Si
8
yangxb
732
Au
16
Si
8
yangxb
733
Au
16
Si
8
yangxb
734
Au
16
Si
8
yangxb
735
Au
16
Si
8
yangxb
736
Au
16
Si
8
yangxb
737
Au
16
Si
8
yangxb
738
Au
16
Si
8
yangxb
739
Au
16
Si
8
yangxb
740
Au
16
Si
8
yangxb
741
Au
16
Si
8
yangxb
742
Au
16
Si
8
yangxb
743
Au
16
Si
8
yangxb
744
Au
16
Si
8
yangxb
745
Au
16
Si
8
yangxb
746
Au
20
Si
8
yangxb
747
Au
8
Si
4
yangxb
748
Au
8
Si
4
yangxb
749
Au
8
Si
4
yangxb
750
Au
8
Si
4
yangxb
«
1
...
»