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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 576-594 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
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
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25
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200
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ID
✕
atom_E
✕
Mass
✕
576
-0.025
17285.869
577
-1.117
17285.869
578
0.002
17285.869
579
-0.299
17285.869
580
-0.039
17285.869
581
-0.349
17285.869
582
-1.248
17285.869
583
-3.124
17285.869
584
-1.533
17285.869
585
-0.424
17285.869
586
-0.013
17285.869
587
-0.225
17285.869
588
-0.004
17285.869
589
-0.295
17285.869
590
-0.830
17285.869
591
-1.888
17285.869
592
-0.945
17285.869
593
-0.243
17285.869
594
-0.025
17285.869
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