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 151-127 out of 127
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)
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
✕
Maximum force
✕
151
Au
8
Si
4
0.019
152
Au
8
Si
4
0.007
153
Au
8
Si
4
0.008
154
Au
8
Si
4
0.007
155
Au
8
Si
4
0.010
156
Au
8
Si
4
0.005
157
Au
8
Si
4
0.008
158
Au
8
Si
4
0.009
159
Au
8
Si
4
0.008
160
Au
8
Si
4
0.020
161
Au
8
Si
4
0.007
162
Au
8
Si
4
0.007
163
Au
8
Si
4
0.014
164
Au
8
Si
4
0.008
165
Au
8
Si
4
0.009
166
Au
8
Si
4
0.008
167
Au
8
Si
4
0.006
168
Au
8
Si
4
0.009
169
Au
8
Si
4
0.009
170
Au
8
Si
4
0.005
171
Au
8
Si
4
0.009
172
Au
8
Si
4
0.009
173
Au
8
Si
4
0.017
174
Au
8
Si
4
0.062
175
Au
8
Si
4
0.010
«
1
2
3
4
5
6
»