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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 576-8 out of 8
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Maximum stress
✕
Age
✕
Volume
✕
plane_index
✕
576
-192.880
0.007
13M
1730.483
111
577
-195.885
0.007
13M
1730.483
111
578
-192.846
0.007
13M
1730.483
111
579
-195.366
0.008
13M
1730.483
111
580
-194.841
0.008
13M
1730.483
111
581
-196.257
0.007
13M
1730.483
111
582
-197.311
0.008
13M
1730.483
111
583
-197.708
0.007
13M
1730.483
111
584
-197.707
0.007
13M
1730.483
111
585
-197.040
0.006
13M
1730.483
111
586
-192.865
0.007
13M
1730.483
111
587
-194.968
0.008
13M
1730.483
111
588
-194.352
0.008
13M
1730.483
111
589
-195.938
0.007
13M
1730.483
111
590
-197.142
0.008
13M
1730.483
111
591
-197.546
0.008
13M
1730.483
111
592
-197.153
0.008
13M
1730.483
111
593
-196.079
0.006
13M
1730.483
111
594
-192.878
0.007
13M
1730.483
111
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