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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 326-350 out of 414
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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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
326
Ag
45
He
4858.072
327
Ag
45
Li
4861.009
328
Ag
45
Be
4863.081
329
Ag
45
B
4864.879
330
Ag
45
C
4866.080
331
Ag
45
N
4868.076
332
Ag
45
O
4870.068
333
Ag
45
F
4873.067
334
Ag
45
Ne
4874.249
335
Ag
45
Na
4877.059
336
Ag
45
Mg
4878.374
337
Ag
45
Al
4881.051
338
Ag
45
Si
4882.154
339
Ag
45
P
4885.043
340
Ag
45
S
4886.129
341
Ag
45
Cl
4889.519
342
Ag
45
Ar
4894.017
343
Ag
45
H
4855.077
344
Ag
45
He
4858.072
345
Ag
45
Li
4861.009
346
Ag
45
Be
4863.081
347
Ag
45
B
4864.879
348
Ag
45
C
4866.080
349
Ag
45
N
4868.076
350
Ag
45
O
4870.068
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