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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 426-450 out of 594
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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)
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
✕
Magnetic moment
✕
426
Cu
54
Mg
-0.000
427
AlCu
54
-0.000
428
Cu
54
Si
-0.000
429
Cu
54
P
-0.000
430
Cu
54
S
-0.000
431
Cu
54
Cl
0.000
432
Cu
54
Ar
0.000
433
Cu
54
H
-0.000
434
Cu
54
He
-0.000
435
Cu
54
Li
-0.000
436
BeCu
54
-0.000
437
Cu
54
B
-0.000
438
Cu
54
C
-0.000
439
Cu
54
N
0.000
440
Cu
54
O
0.000
441
Cu
54
F
-0.000
442
Cu
54
Ne
-0.000
443
Cu
54
Na
0.000
444
Cu
54
Mg
0.000
445
AlCu
54
-0.000
446
Cu
54
Si
-0.000
447
Cu
54
P
-0.000
448
Cu
54
S
-0.000
449
Cu
54
Cl
-0.000
450
Cu
54
Ar
-0.000
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