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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)
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
✕
551
-0.225
0.009
552
-0.004
0.005
553
-0.295
0.008
554
-0.830
0.009
555
-1.888
0.004
556
-0.945
0.009
557
-0.243
0.009
558
-0.025
0.009
559
-1.120
0.006
560
0.002
0.006
561
-0.299
0.007
562
-0.039
0.009
563
-0.349
0.008
564
-1.250
0.010
565
-3.120
0.008
566
-1.530
0.007
567
-0.424
0.009
568
-0.013
0.007
569
-0.225
0.006
570
-0.004
0.010
571
-0.295
0.010
572
-0.830
0.010
573
-1.890
0.006
574
-0.945
0.008
575
-0.243
0.011
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