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 1626-1650 out of 2180
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
1626
Au
16
Si
8
1627
Au
8
Si
4
1628
Au
10
Si
4
1629
Au
10
Si
4
1630
Au
10
Si
4
1631
Au
10
Si
4
1632
Au
10
Si
4
1633
Au
10
Si
4
1634
Au
10
Si
4
1635
Au
10
Si
4
1636
Au
10
Si
4
1637
Au
10
Si
4
1638
Au
10
Si
4
1639
Au
10
Si
4
1640
Au
10
Si
4
1641
Au
10
Si
4
1642
Au
10
Si
4
1643
Au
10
Si
4
1644
Au
10
Si
4
1645
Au
10
Si
4
1646
Au
10
Si
4
1647
Au
10
Si
4
1648
Au
10
Si
4
1649
Au
10
Si
4
1650
Au
10
Si
4
«
1
2
3
4
5
...
62
63
64
65
66
67
68
69
70
...
85
86
87
88
»