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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 376-18 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
✕
376
Ag
45
S
2248.827
377
Ag
45
Cl
2248.827
378
Ag
45
Ar
2248.827
379
Ag
45
H
2248.827
380
Ag
45
He
2248.827
381
Ag
45
Li
2248.827
382
Ag
45
Be
2248.827
383
Ag
45
B
2248.827
384
Ag
45
C
2248.827
385
Ag
45
N
2248.827
386
Ag
45
O
2248.827
387
Ag
45
F
2248.827
388
Ag
45
Ne
2248.827
389
Ag
45
Na
2248.827
390
Ag
45
Mg
2248.827
391
Ag
45
Al
2248.827
392
Ag
45
Si
2248.827
393
Ag
45
P
2248.827
394
Ag
45
S
2248.827
395
Ag
45
Cl
2248.827
396
Ag
45
Ar
2248.827
397
Cu
54
H
1730.483
398
Cu
54
He
1730.483
399
Cu
54
Li
1730.483
400
BeCu
54
1730.483
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