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MATLAB-code
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 351-375 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
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
351
Ag
45
F
-120.657
352
Ag
45
Ne
-116.365
353
Ag
45
Na
-118.215
354
Ag
45
Mg
-117.535
355
Ag
45
Al
-119.187
356
Ag
45
Si
-120.388
357
Ag
45
P
-121.048
358
Ag
45
S
-120.967
359
Ag
45
Cl
-119.638
360
Ag
45
Ar
-116.377
361
Ag
45
H
-119.410
362
Ag
45
He
-116.339
363
Ag
45
Li
-118.569
364
Ag
45
Be
-118.272
365
Ag
45
B
-119.959
366
Ag
45
C
-121.132
367
Ag
45
N
-121.638
368
Ag
45
O
-121.696
369
Ag
45
F
-120.651
370
Ag
45
Ne
-116.357
371
Ag
45
Na
-118.194
372
Ag
45
Mg
-117.490
373
Ag
45
Al
-119.178
374
Ag
45
Si
-120.379
375
Ag
45
P
-121.040
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