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 576-8 out of 8
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)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
Volume
✕
576
Cu
54
Ar
3471.432
1730.483
577
Cu
54
H
3432.492
1730.483
578
Cu
54
He
3435.487
1730.483
579
Cu
54
Li
3438.424
1730.483
580
BeCu
54
3440.496
1730.483
581
Cu
54
B
3442.294
1730.483
582
Cu
54
C
3443.495
1730.483
583
Cu
54
N
3445.491
1730.483
584
Cu
54
O
3447.483
1730.483
585
Cu
54
F
3450.482
1730.483
586
Cu
54
Ne
3451.664
1730.483
587
Cu
54
Na
3454.474
1730.483
588
Cu
54
Mg
3455.789
1730.483
589
AlCu
54
3458.466
1730.483
590
Cu
54
Si
3459.569
1730.483
591
Cu
54
P
3462.458
1730.483
592
Cu
54
S
3463.544
1730.483
593
Cu
54
Cl
3466.934
1730.483
594
Cu
54
Ar
3471.432
1730.483
«
1
...
»