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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_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Maximum stress
✕
Maximum force
✕
distance
✕
1
0.012
0.008
0.464
2
0.011
0.006
3.597
3
0.011
0.008
1.620
4
0.010
0.008
0.461
5
0.011
0.008
0.094
6
0.011
0.009
0.055
7
0.011
0.008
0.748
8
0.011
0.009
0.843
9
0.011
0.005
1.259
10
0.011
0.010
3.424
11
0.011
0.005
2.111
12
0.010
0.010
1.410
13
0.010
0.010
0.934
14
0.010
0.006
0.866
15
0.011
0.006
1.150
16
0.011
0.007
1.251
17
0.011
0.010
1.721
18
0.011
0.006
3.651
19
0.011
0.010
0.885
20
0.011
0.009
3.568
21
0.012
0.009
1.954
22
0.012
0.009
1.213
23
0.011
0.009
0.861
24
0.011
0.006
1.062
25
0.011
0.010
1.146
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