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