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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 326-18 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
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum stress
✕
326
Ag
45
He
0.006
327
Ag
45
Li
0.005
328
Ag
45
Be
0.004
329
Ag
45
B
0.003
330
Ag
45
C
0.003
331
Ag
45
N
0.004
332
Ag
45
O
0.004
333
Ag
45
F
0.004
334
Ag
45
Ne
0.006
335
Ag
45
Na
0.005
336
Ag
45
Mg
0.005
337
Ag
45
Al
0.005
338
Ag
45
Si
0.004
339
Ag
45
P
0.004
340
Ag
45
S
0.004
341
Ag
45
Cl
0.004
342
Ag
45
Ar
0.006
343
Ag
45
H
0.005
344
Ag
45
He
0.006
345
Ag
45
Li
0.006
346
Ag
45
Be
0.004
347
Ag
45
B
0.004
348
Ag
45
C
0.004
349
Ag
45
N
0.004
350
Ag
45
O
0.004
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