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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_E
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
ads_site
✕
Mass
✕
Magnetic moment
✕
526
2h
17285.869
0.000
527
2h
17285.869
-0.000
528
2h
17285.869
-0.000
529
2h
17285.869
-0.000
530
2h
17285.869
-0.000
531
2h
17285.869
0.000
532
2h
17285.869
-0.000
533
2h
17285.869
0.000
534
2h
17285.869
-0.000
535
2h
17285.869
-0.000
536
2h
17285.869
-0.000
537
2h
17285.869
-0.000
538
2h
17285.869
-0.000
539
2h
17285.869
-0.000
540
2h
17285.869
0.000
541
3h
17285.869
-0.000
542
3h
17285.869
-0.000
543
3h
17285.869
0.000
544
3h
17285.869
0.000
545
3h
17285.869
0.000
546
3h
17285.869
-0.000
547
3h
17285.869
0.000
548
3h
17285.869
0.000
549
3h
17285.869
0.000
550
3h
17285.869
0.000
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