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 376-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Dipole_val
✕
376
Ag
45
S
1.274
377
Ag
45
Cl
1.389
378
Ag
45
Ar
-0.053
379
Ag
45
H
0.382
380
Ag
45
He
-0.012
381
Ag
45
Li
-3.603
382
Ag
45
Be
-0.770
383
Ag
45
B
0.500
384
Ag
45
C
1.149
385
Ag
45
N
1.751
386
Ag
45
O
2.342
387
Ag
45
F
2.574
388
Ag
45
Ne
-0.014
389
Ag
45
Na
-4.477
390
Ag
45
Mg
-2.119
391
Ag
45
Al
-0.850
392
Ag
45
Si
0.159
393
Ag
45
P
1.008
394
Ag
45
S
1.914
395
Ag
45
Cl
2.419
396
Ag
45
Ar
-0.098
397
Cu
54
H
-0.040
398
Cu
54
He
-0.013
399
Cu
54
Li
-2.989
400
BeCu
54
-0.069
«
1
...
»