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 2101-2125 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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
2101
Au
14
Si
8
2685.242
2102
Au
14
Si
8
2685.390
2103
Au
14
Si
8
2686.474
2104
Au
14
Si
8
2685.726
2105
Au
14
Si
8
2686.072
2106
Au
14
Si
8
2686.486
2107
Au
14
Si
8
2685.772
2108
Au
14
Si
8
2686.597
2109
Au
14
Si
8
2686.015
2110
Au
14
Si
8
2685.736
2111
Au
14
Si
8
2686.044
2112
Au
14
Si
8
2686.240
2113
Au
14
Si
8
2685.961
2114
Au
14
Si
8
2686.403
2115
Au
14
Si
8
2685.991
2116
Au
14
Si
8
2685.705
2117
Au
14
Si
8
2686.219
2118
Au
14
Si
8
2685.485
2119
Au
14
Si
8
2686.087
2120
Au
14
Si
8
2685.992
2121
Au
14
Si
8
2685.774
2122
Au
14
Si
8
2685.041
2123
Au
14
Si
8
2685.455
2124
Au
14
Si
8
2685.607
2125
Au
14
Si
8
2686.065
«
1
2
3
4
5
...
81
82
83
84
85
86
87
88
»