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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 551-8 out of 8
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Dipole_val
ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
distance
✕
atom_E
✕
551
2.376
-0.225
552
2.025
-0.004
553
1.820
-0.295
554
1.670
-0.830
555
1.593
-1.888
556
1.602
-0.945
557
1.841
-0.243
558
3.920
-0.025
559
0.916
-1.120
560
3.776
0.002
561
2.025
-0.299
562
1.308
-0.039
563
0.834
-0.349
564
0.665
-1.250
565
0.958
-3.120
566
1.073
-1.530
567
1.409
-0.424
568
3.657
-0.013
569
2.384
-0.225
570
1.991
-0.004
571
1.820
-0.295
572
1.654
-0.830
573
1.585
-1.890
574
1.587
-0.945
575
1.895
-0.243
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