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 576-594 out of 594
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)
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Mass
✕
PBC
✕
plane_index
✕
slab_E
✕
576
Cu
54
Ar
hecc
3471.432
TTT
111
-192.845
577
Cu
54
H
hecc
3432.492
TTT
111
-192.845
578
Cu
54
He
hecc
3435.487
TTT
111
-192.845
579
Cu
54
Li
hecc
3438.424
TTT
111
-192.845
580
BeCu
54
hecc
3440.496
TTT
111
-192.845
581
Cu
54
B
hecc
3442.294
TTT
111
-192.845
582
Cu
54
C
hecc
3443.495
TTT
111
-192.845
583
Cu
54
N
hecc
3445.491
TTT
111
-192.845
584
Cu
54
O
hecc
3447.483
TTT
111
-192.845
585
Cu
54
F
hecc
3450.482
TTT
111
-192.845
586
Cu
54
Ne
hecc
3451.664
TTT
111
-192.845
587
Cu
54
Na
hecc
3454.474
TTT
111
-192.845
588
Cu
54
Mg
hecc
3455.789
TTT
111
-192.845
589
AlCu
54
hecc
3458.466
TTT
111
-192.845
590
Cu
54
Si
hecc
3459.569
TTT
111
-192.845
591
Cu
54
P
hecc
3462.458
TTT
111
-192.845
592
Cu
54
S
hecc
3463.544
TTT
111
-192.845
593
Cu
54
Cl
hecc
3466.934
TTT
111
-192.845
594
Cu
54
Ar
hecc
3471.432
TTT
111
-192.845
«
1
2
3
4
5
...
20
21
22
23
24
»