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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
Net charge in unit cell (charge)
distance
Total energy (energy)
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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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100
200
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ID
✕
atom_E
✕
Maximum force
✕
Calculator
✕
Age
✕
551
-0.225
0.009
vasp
15M
552
-0.004
0.005
vasp
15M
553
-0.295
0.008
vasp
15M
554
-0.830
0.009
vasp
15M
555
-1.888
0.004
vasp
15M
556
-0.945
0.009
vasp
15M
557
-0.243
0.009
vasp
15M
558
-0.025
0.009
vasp
15M
559
-1.120
0.006
vasp
15M
560
0.002
0.006
vasp
15M
561
-0.299
0.007
vasp
15M
562
-0.039
0.009
vasp
15M
563
-0.349
0.008
vasp
15M
564
-1.250
0.010
vasp
15M
565
-3.120
0.008
vasp
15M
566
-1.530
0.007
vasp
15M
567
-0.424
0.009
vasp
15M
568
-0.013
0.007
vasp
15M
569
-0.225
0.006
vasp
15M
570
-0.004
0.010
vasp
15M
571
-0.295
0.010
vasp
15M
572
-0.830
0.010
vasp
15M
573
-1.890
0.006
vasp
15M
574
-0.945
0.008
vasp
15M
575
-0.243
0.011
vasp
15M
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