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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 526-8 out of 8
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Dipole_val
ads_E
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
plane_index
✕
ads_site
✕
Energy
✕
distance
✕
526
111
2h
-195.504
1.451
527
111
2h
-197.683
1.151
528
111
2h
-199.306
0.969
529
111
2h
-199.897
0.961
530
111
2h
-199.470
1.074
531
111
2h
-197.506
1.412
532
111
2h
-192.866
3.642
533
111
2h
-195.024
2.382
534
111
2h
-194.558
2.028
535
111
2h
-196.341
1.816
536
111
2h
-197.812
1.653
537
111
2h
-198.589
1.587
538
111
2h
-198.348
1.587
539
111
2h
-196.487
1.825
540
111
2h
-192.878
3.872
541
111
3h
-196.520
0.924
542
111
3h
-192.846
3.741
543
111
3h
-195.476
2.030
544
111
3h
-195.497
1.445
545
111
3h
-197.667
1.126
546
111
3h
-199.261
0.945
547
111
3h
-199.816
0.958
548
111
3h
-199.380
1.094
549
111
3h
-197.474
1.440
550
111
3h
-192.866
3.613
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