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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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ads_E
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)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
str_E
✕
Dipole_val
✕
PBC
✕
-168.070
-0.123
TTT
-165.069
-0.011
TTT
-168.230
-2.696
TTT
-169.147
-0.238
TTT
-171.055
-0.022
TTT
-171.207
0.044
TTT
-170.577
0.360
TTT
-169.926
0.594
TTT
-168.695
1.029
TTT
-165.085
-0.012
TTT
-167.652
-4.669
TTT
-167.509
-2.555
TTT
-169.611
-0.805
TTT
-170.944
-0.276
TTT
-171.031
0.008
TTT
-169.906
0.191
TTT
-167.868
0.752
TTT
-165.095
-0.077
TTT
-168.428
-0.004
TTT
-165.069
-0.017
TTT
-167.904
-3.955
TTT
-167.816
-1.093
TTT
-169.754
-0.008
TTT
-170.497
0.475
TTT
-170.360
0.930
TTT
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