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 376-400 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
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
plane_index
✕
Energy
✕
Volume
✕
376
Ag
45
S
111
-120.960
2248.827
377
Ag
45
Cl
111
-119.563
2248.827
378
Ag
45
Ar
111
-116.367
2248.827
379
Ag
45
H
111
-119.014
2248.827
380
Ag
45
He
111
-116.340
2248.827
381
Ag
45
Li
111
-118.406
2248.827
382
Ag
45
Be
111
-117.489
2248.827
383
Ag
45
B
111
-118.818
2248.827
384
Ag
45
C
111
-119.535
2248.827
385
Ag
45
N
111
-119.923
2248.827
386
Ag
45
O
111
-120.244
2248.827
387
Ag
45
F
111
-120.151
2248.827
388
Ag
45
Ne
111
-116.356
2248.827
389
Ag
45
Na
111
-118.095
2248.827
390
Ag
45
Mg
111
-117.217
2248.827
391
Ag
45
Al
111
-118.749
2248.827
392
Ag
45
Si
111
-119.579
2248.827
393
Ag
45
P
111
-119.881
2248.827
394
Ag
45
S
111
-119.819
2248.827
395
Ag
45
Cl
111
-119.270
2248.827
396
Ag
45
Ar
111
-116.362
2248.827
397
Cu
54
H
100
-194.134
1730.483
398
Cu
54
He
100
-190.564
1730.483
399
Cu
54
Li
100
-193.113
1730.483
400
BeCu
54
100
-193.566
1730.483
«
1
2
3
4
5
...
12
13
14
15
16
17
18
19
20
21
22
23
24
»