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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 476-500 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
✕
476
Cu
72
O
0.000
477
Cu
72
F
0.000
478
Cu
72
Ne
-0.000
479
Cu
72
Na
-0.000
480
Cu
72
Mg
-0.000
481
AlCu
72
0.000
482
Cu
72
Si
0.000
483
Cu
72
P
-0.000
484
Cu
72
S
0.000
485
Cu
72
Cl
0.000
486
Cu
72
Ar
-0.000
487
Cu
72
H
-0.000
488
Cu
72
He
-0.000
489
Cu
72
Li
-0.000
490
BeCu
72
0.000
491
Cu
72
B
0.000
492
Cu
72
C
0.000
493
Cu
72
N
0.000
494
Cu
72
O
-0.000
495
Cu
72
F
-0.000
496
Cu
72
Ne
0.000
497
Cu
72
Na
-0.000
498
Cu
72
Mg
0.000
499
AlCu
72
-0.000
500
Cu
72
Si
0.000
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