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MATLAB-code
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)
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
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
slab_E
✕
atom_E
✕
Charge
✕
Maximum stress
✕
551
-192.845
-0.225
0.000
0.008
552
-192.845
-0.004
0.000
0.007
553
-192.845
-0.295
0.000
0.007
554
-192.845
-0.830
0.000
0.006
555
-192.845
-1.888
0.000
0.006
556
-192.845
-0.945
0.000
0.006
557
-192.845
-0.243
0.000
0.006
558
-192.845
-0.025
0.000
0.007
559
-192.845
-1.120
0.000
0.007
560
-192.845
0.002
0.000
0.007
561
-192.845
-0.299
0.000
0.008
562
-192.845
-0.039
0.000
0.008
563
-192.845
-0.349
0.000
0.008
564
-192.845
-1.250
0.000
0.008
565
-192.845
-3.120
0.000
0.005
566
-192.845
-1.530
0.000
0.005
567
-192.845
-0.424
0.000
0.006
568
-192.845
-0.013
0.000
0.007
569
-192.845
-0.225
0.000
0.008
570
-192.845
-0.004
0.000
0.008
571
-192.845
-0.295
0.000
0.007
572
-192.845
-0.830
0.000
0.006
573
-192.845
-1.890
0.000
0.006
574
-192.845
-0.945
0.000
0.005
575
-192.845
-0.243
0.000
0.006
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