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ASE database
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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 326-8 out of 8
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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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
slab_E
✕
326
Ag
45
He
-116.318
327
Ag
45
Li
-116.318
328
Ag
45
Be
-116.318
329
Ag
45
B
-116.318
330
Ag
45
C
-116.318
331
Ag
45
N
-116.318
332
Ag
45
O
-116.318
333
Ag
45
F
-116.318
334
Ag
45
Ne
-116.318
335
Ag
45
Na
-116.318
336
Ag
45
Mg
-116.318
337
Ag
45
Al
-116.318
338
Ag
45
Si
-116.318
339
Ag
45
P
-116.318
340
Ag
45
S
-116.318
341
Ag
45
Cl
-116.318
342
Ag
45
Ar
-116.318
343
Ag
45
H
-116.318
344
Ag
45
He
-116.318
345
Ag
45
Li
-116.318
346
Ag
45
Be
-116.318
347
Ag
45
B
-116.318
348
Ag
45
C
-116.318
349
Ag
45
N
-116.318
350
Ag
45
O
-116.318
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