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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 1-25 out of 594
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Dipole_val
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)
Chemical formula (formula)
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
Rows: 25
10
25
50
100
200
↓
ID
✕
plane_index
✕
Username
✕
Volume
✕
ads_E
✕
1
100
hecc
2654.442
-1.889
2
100
hecc
2654.442
-0.007
3
100
hecc
2654.442
-2.868
4
100
hecc
2654.442
-4.044
5
100
hecc
2654.442
-5.643
6
100
hecc
2654.442
-4.895
7
100
hecc
2654.442
-2.390
8
100
hecc
2654.442
-3.329
9
100
hecc
2654.442
-3.208
10
100
hecc
2654.442
-0.009
11
100
hecc
2654.442
-2.363
12
100
hecc
2654.442
-2.441
13
100
hecc
2654.442
-4.253
14
100
hecc
2654.442
-5.051
15
100
hecc
2654.442
-4.079
16
100
hecc
2654.442
-3.898
17
100
hecc
2654.442
-2.562
18
100
hecc
2654.442
-0.005
19
100
hecc
2654.442
-2.247
20
100
hecc
2654.442
-0.007
21
100
hecc
2654.442
-2.541
22
100
hecc
2654.442
-2.713
23
100
hecc
2654.442
-4.341
24
100
hecc
2654.442
-4.185
25
100
hecc
2654.442
-2.172
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