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 1576-17 out of 17
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)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1576
Au
8
Si
4
-43.794
1577
Au
8
Si
4
-44.343
1578
Au
8
Si
4
-43.788
1579
Au
8
Si
4
-44.351
1580
Au
8
Si
4
-43.785
1581
Au
8
Si
4
-44.336
1582
Au
8
Si
4
-43.780
1583
Au
8
Si
4
-44.334
1584
Au
8
Si
4
-44.325
1585
Au
8
Si
4
-43.787
1586
Au
8
Si
4
-43.778
1587
Au
8
Si
4
-43.783
1588
Au
8
Si
4
-44.340
1589
Au
8
Si
4
-44.340
1590
Au
8
Si
4
-43.788
1591
Au
8
Si
4
-43.741
1592
Au
8
Si
4
-44.342
1593
Au
8
Si
4
-43.776
1594
Au
8
Si
4
-43.721
1595
Au
8
Si
4
-44.325
1596
Au
8
Si
4
-43.801
1597
Au
8
Si
4
-44.333
1598
Au
8
Si
4
-43.801
1599
Au
8
Si
4
-44.354
1600
Au
8
Si
4
-43.776
«
1
...
»