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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 101-125 out of 594
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Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
atom_E
✕
Age
✕
Charge
✕
distance
✕
Maximum force
✕
plane_index
✕
-0.225
15M
0.000
2.409
0.009
110
-0.004
15M
0.000
1.938
0.008
110
-0.295
15M
0.000
1.701
0.007
110
-0.830
15M
0.000
1.560
0.006
110
-1.888
15M
0.000
1.549
0.009
110
-0.945
15M
0.000
1.636
0.007
110
-0.243
15M
0.000
1.936
0.009
110
-0.025
15M
0.000
3.439
0.007
110
-1.117
15M
0.000
1.599
0.006
110
0.002
15M
0.000
3.610
0.008
110
-0.299
15M
0.000
2.237
0.008
110
-0.039
15M
0.000
2.078
0.006
110
-0.349
15M
0.000
1.927
0.005
110
-1.248
15M
0.000
1.835
0.006
110
-3.124
15M
0.000
1.836
0.008
110
-1.533
15M
0.000
1.889
0.008
110
-0.424
15M
0.000
2.038
0.007
110
-0.013
15M
0.000
3.629
0.009
110
-0.225
15M
0.000
2.544
0.009
110
-0.004
15M
0.000
2.384
0.009
110
-0.295
15M
0.000
2.395
0.010
110
-0.830
15M
0.000
2.136
0.006
110
-1.888
15M
0.000
2.139
0.034
110
-0.945
15M
0.000
2.212
0.010
110
-0.243
15M
0.000
2.331
0.006
110
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