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 426-18 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
Total energy (energy)
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
✕
Maximum force
✕
426
Cu
54
Mg
0.007
427
AlCu
54
0.005
428
Cu
54
Si
0.009
429
Cu
54
P
0.009
430
Cu
54
S
0.012
431
Cu
54
Cl
0.017
432
Cu
54
Ar
0.009
433
Cu
54
H
0.008
434
Cu
54
He
0.009
435
Cu
54
Li
0.003
436
BeCu
54
0.007
437
Cu
54
B
0.010
438
Cu
54
C
0.003
439
Cu
54
N
0.009
440
Cu
54
O
0.008
441
Cu
54
F
0.007
442
Cu
54
Ne
0.010
443
Cu
54
Na
0.008
444
Cu
54
Mg
0.009
445
AlCu
54
0.009
446
Cu
54
Si
0.008
447
Cu
54
P
0.009
448
Cu
54
S
0.006
449
Cu
54
Cl
0.015
450
Cu
54
Ar
0.008
«
1
...
»