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 551-575 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)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Maximum stress
✕
atom_E
✕
551
Cu
54
Na
55
0.008
-0.225
552
Cu
54
Mg
55
0.007
-0.004
553
AlCu
54
55
0.007
-0.295
554
Cu
54
Si
55
0.006
-0.830
555
Cu
54
P
55
0.006
-1.888
556
Cu
54
S
55
0.006
-0.945
557
Cu
54
Cl
55
0.006
-0.243
558
Cu
54
Ar
55
0.007
-0.025
559
Cu
54
H
55
0.007
-1.120
560
Cu
54
He
55
0.007
0.002
561
Cu
54
Li
55
0.008
-0.299
562
BeCu
54
55
0.008
-0.039
563
Cu
54
B
55
0.008
-0.349
564
Cu
54
C
55
0.008
-1.250
565
Cu
54
N
55
0.005
-3.120
566
Cu
54
O
55
0.005
-1.530
567
Cu
54
F
55
0.006
-0.424
568
Cu
54
Ne
55
0.007
-0.013
569
Cu
54
Na
55
0.008
-0.225
570
Cu
54
Mg
55
0.008
-0.004
571
AlCu
54
55
0.007
-0.295
572
Cu
54
Si
55
0.006
-0.830
573
Cu
54
P
55
0.006
-1.890
574
Cu
54
S
55
0.005
-0.945
575
Cu
54
Cl
55
0.006
-0.243
«
1
2
3
4
5
...
19
20
21
22
23
24
»