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 1826-1850 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
✕
1826
Au
10
Si
4
1827
Au
10
Si
4
1828
Au
10
Si
4
1829
Au
10
Si
4
1830
Au
10
Si
4
1831
Au
10
Si
4
1832
Au
10
Si
4
1833
Au
10
Si
4
1834
Au
10
Si
4
1835
Au
10
Si
4
1836
Au
10
Si
4
1837
Au
10
Si
4
1838
Au
10
Si
4
1839
Au
10
Si
4
1840
Au
10
Si
4
1841
Au
10
Si
4
1842
Au
10
Si
4
1843
Au
10
Si
4
1844
Au
10
Si
4
1845
Au
10
Si
4
1846
Au
10
Si
4
1847
Au
10
Si
4
1848
Au
10
Si
4
1849
Au
10
Si
4
1850
Au
10
Si
4
«
1
2
3
4
5
...
70
71
72
73
74
75
76
77
78
...
85
86
87
88
»