Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 126-150 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
126
Au
72
Ar
0.013
127
Au
45
H
0.014
128
Au
45
He
0.015
129
Au
45
Li
0.015
130
Au
45
Be
0.013
131
Au
45
B
0.011
132
Au
45
C
0.011
133
Au
45
N
0.012
134
Au
45
O
0.012
135
Au
45
F
0.013
136
Au
45
Ne
0.015
137
Au
45
Na
0.015
138
Au
45
Mg
0.013
139
AlAu
45
0.013
140
Au
45
Si
0.013
141
Au
45
P
0.012
142
Au
45
S
0.012
143
Au
45
Cl
0.013
144
Au
45
Ar
0.015
145
Au
45
H
0.014
146
Au
45
He
0.015
147
Au
45
Li
0.015
148
Au
45
Be
0.013
149
Au
45
B
0.011
150
Au
45
C
0.011
«
1
2
3
4
5
6
7
8
9
10
...
21
22
23
24
»