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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 76-100 out of 594
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Dipole_val
ads_E
ads_site
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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Mass
✕
Age
✕
Maximum stress
✕
str_E
✕
17285.869
15M
0.013
-222.247
17285.869
15M
0.012
-224.037
17285.869
15M
0.011
-224.356
17285.869
15M
0.012
-223.581
17285.869
15M
0.012
-223.229
17285.869
15M
0.012
-222.245
17285.869
15M
0.013
-218.548
17285.869
15M
0.014
-221.145
17285.869
15M
0.013
-220.986
17285.869
15M
0.013
-222.861
17285.869
15M
0.013
-223.955
17285.869
15M
0.012
-223.843
17285.869
15M
0.012
-222.907
17285.869
15M
0.012
-221.497
17285.869
15M
0.013
-218.552
17285.869
15M
0.013
-221.957
17285.869
15M
0.013
-218.530
17285.869
15M
0.014
-221.258
17285.869
15M
0.012
-221.998
17285.869
15M
0.012
-224.163
17285.869
15M
0.012
-224.114
17285.869
15M
0.013
-223.914
17285.869
15M
0.013
-223.523
17285.869
15M
0.013
-222.402
17285.869
15M
0.013
-218.547
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