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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 526-550 out of 594
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Dipole_val
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
Charge
✕
distance
✕
Energy
✕
ads_E
✕
Volume
✕
0.000
1.451
-195.504
-2.619
1730.483
0.000
1.151
-197.683
-4.490
1730.483
0.000
0.969
-199.306
-5.211
1730.483
0.000
0.961
-199.897
-3.932
1730.483
0.000
1.074
-199.470
-5.095
1730.483
0.000
1.412
-197.506
-4.237
1730.483
0.000
3.642
-192.866
-0.008
1730.483
0.000
2.382
-195.024
-1.954
1730.483
0.000
2.028
-194.558
-1.709
1730.483
0.000
1.816
-196.341
-3.201
1730.483
0.000
1.653
-197.812
-4.137
1730.483
0.000
1.587
-198.589
-3.854
1730.483
0.000
1.587
-198.348
-4.558
1730.483
0.000
1.825
-196.487
-3.399
1730.483
0.000
3.872
-192.878
-0.007
1730.483
0.000
0.924
-196.520
-2.558
1730.483
0.000
3.741
-192.846
-0.003
1730.483
0.000
2.030
-195.476
-2.332
1730.483
0.000
1.445
-195.497
-2.613
1730.483
0.000
1.126
-197.667
-4.474
1730.483
0.000
0.945
-199.261
-5.168
1730.483
0.000
0.958
-199.816
-3.847
1730.483
0.000
1.094
-199.380
-5.003
1730.483
0.000
1.440
-197.474
-4.205
1730.483
0.000
3.613
-192.866
-0.008
1730.483
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