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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 1-8 out of 8
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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)
distance
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Energy
✕
Maximum force
✕
1
-168.070
0.008
2
-165.069
0.006
3
-168.230
0.008
4
-169.147
0.008
5
-171.055
0.008
6
-171.207
0.009
7
-170.577
0.008
8
-169.926
0.009
9
-168.695
0.005
10
-165.085
0.010
11
-167.652
0.005
12
-167.509
0.010
13
-169.611
0.010
14
-170.944
0.006
15
-171.031
0.006
16
-169.906
0.007
17
-167.868
0.010
18
-165.095
0.006
19
-168.428
0.010
20
-165.069
0.009
21
-167.904
0.009
22
-167.816
0.009
23
-169.754
0.009
24
-170.497
0.006
25
-170.360
0.010
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