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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 551-575 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)
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
Volume of unit cell (volume)
Rows: 25
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ID
✕
Username
✕
atom_E
✕
551
hecc
-0.225
552
hecc
-0.004
553
hecc
-0.295
554
hecc
-0.830
555
hecc
-1.888
556
hecc
-0.945
557
hecc
-0.243
558
hecc
-0.025
559
hecc
-1.120
560
hecc
0.002
561
hecc
-0.299
562
hecc
-0.039
563
hecc
-0.349
564
hecc
-1.250
565
hecc
-3.120
566
hecc
-1.530
567
hecc
-0.424
568
hecc
-0.013
569
hecc
-0.225
570
hecc
-0.004
571
hecc
-0.295
572
hecc
-0.830
573
hecc
-1.890
574
hecc
-0.945
575
hecc
-0.243
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