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 276-8 out of 8
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)
distance
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
Charge
✕
Username
✕
276
Ag
72
C
7778.521
0.000
hecc
277
Ag
72
N
7780.517
0.000
hecc
278
Ag
72
O
7782.509
0.000
hecc
279
Ag
72
F
7785.509
0.000
hecc
280
Ag
72
Ne
7786.690
0.000
hecc
281
Ag
72
Na
7789.500
0.000
hecc
282
Ag
72
Mg
7790.815
0.000
hecc
283
Ag
72
Al
7793.492
0.000
hecc
284
Ag
72
Si
7794.595
0.000
hecc
285
Ag
72
P
7797.484
0.000
hecc
286
Ag
72
S
7798.570
0.000
hecc
287
Ag
72
Cl
7801.960
0.000
hecc
288
Ag
72
Ar
7806.458
0.000
hecc
289
Ag
72
H
7767.518
0.000
hecc
290
Ag
72
He
7770.513
0.000
hecc
291
Ag
72
Li
7773.450
0.000
hecc
292
Ag
72
Be
7775.523
0.000
hecc
293
Ag
72
B
7777.320
0.000
hecc
294
Ag
72
C
7778.521
0.000
hecc
295
Ag
72
N
7780.517
0.000
hecc
296
Ag
72
O
7782.509
0.000
hecc
297
Ag
72
F
7785.509
0.000
hecc
298
Ag
72
Ne
7786.690
0.000
hecc
299
Ag
72
Na
7789.500
0.000
hecc
300
Ag
72
Mg
7790.815
0.000
hecc
«
1
...
»