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 1576-1600 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
✕
1576
Au
8
Si
4
1577
Au
8
Si
4
1578
Au
8
Si
4
1579
Au
8
Si
4
1580
Au
8
Si
4
1581
Au
8
Si
4
1582
Au
8
Si
4
1583
Au
8
Si
4
1584
Au
8
Si
4
1585
Au
8
Si
4
1586
Au
8
Si
4
1587
Au
8
Si
4
1588
Au
8
Si
4
1589
Au
8
Si
4
1590
Au
8
Si
4
1591
Au
8
Si
4
1592
Au
8
Si
4
1593
Au
8
Si
4
1594
Au
8
Si
4
1595
Au
8
Si
4
1596
Au
8
Si
4
1597
Au
8
Si
4
1598
Au
8
Si
4
1599
Au
8
Si
4
1600
Au
8
Si
4
«
1
2
3
4
5
...
60
61
62
63
64
65
66
67
68
...
85
86
87
88
»