Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
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
✕
326
Ag
45
He
-116.344
327
Ag
45
Li
-118.598
328
Ag
45
Be
-118.330
329
Ag
45
B
-120.031
330
Ag
45
C
-121.073
331
Ag
45
N
-121.538
332
Ag
45
O
-121.609
333
Ag
45
F
-120.634
334
Ag
45
Ne
-116.365
335
Ag
45
Na
-118.216
336
Ag
45
Mg
-117.532
337
Ag
45
Al
-119.166
338
Ag
45
Si
-120.343
339
Ag
45
P
-120.991
340
Ag
45
S
-120.915
341
Ag
45
Cl
-119.633
342
Ag
45
Ar
-116.379
343
Ag
45
H
-119.530
344
Ag
45
He
-116.344
345
Ag
45
Li
-118.598
346
Ag
45
Be
-118.336
347
Ag
45
B
-120.044
348
Ag
45
C
-121.142
349
Ag
45
N
-121.644
350
Ag
45
O
-121.703
«
1
...
»