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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 351-18 out of 18
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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
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
351
Ag
45
F
2248.827
352
Ag
45
Ne
2248.827
353
Ag
45
Na
2248.827
354
Ag
45
Mg
2248.827
355
Ag
45
Al
2248.827
356
Ag
45
Si
2248.827
357
Ag
45
P
2248.827
358
Ag
45
S
2248.827
359
Ag
45
Cl
2248.827
360
Ag
45
Ar
2248.827
361
Ag
45
H
2248.827
362
Ag
45
He
2248.827
363
Ag
45
Li
2248.827
364
Ag
45
Be
2248.827
365
Ag
45
B
2248.827
366
Ag
45
C
2248.827
367
Ag
45
N
2248.827
368
Ag
45
O
2248.827
369
Ag
45
F
2248.827
370
Ag
45
Ne
2248.827
371
Ag
45
Na
2248.827
372
Ag
45
Mg
2248.827
373
Ag
45
Al
2248.827
374
Ag
45
Si
2248.827
375
Ag
45
P
2248.827
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