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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 501-525 out of 594
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Dipole_val
ads_E
ads_site
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)
slab_E
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
distance
✕
plane_index
✕
Maximum stress
✕
Age
✕
Username
✕
atom_E
✕
501
0.877
110
0.009
15M
hecc
-1.888
502
0.983
110
0.008
15M
hecc
-0.945
503
1.583
110
0.009
15M
hecc
-0.243
504
3.561
110
0.009
15M
hecc
-0.025
505
1.515
110
0.009
15M
hecc
-1.117
506
3.582
110
0.010
15M
hecc
0.002
507
2.095
110
0.010
15M
hecc
-0.299
508
1.719
110
0.009
15M
hecc
-0.039
509
1.699
110
0.010
15M
hecc
-0.349
510
1.526
110
0.010
15M
hecc
-1.248
511
1.504
110
0.010
15M
hecc
-3.124
512
1.636
110
0.009
15M
hecc
-1.533
513
1.828
110
0.009
15M
hecc
-0.424
514
3.441
110
0.010
15M
hecc
-0.013
515
2.422
110
0.010
15M
hecc
-0.225
516
2.196
110
0.009
15M
hecc
-0.004
517
2.110
110
0.010
15M
hecc
-0.295
518
1.718
110
0.010
15M
hecc
-0.830
519
1.495
110
0.010
15M
hecc
-1.888
520
1.748
110
0.009
15M
hecc
-0.945
521
2.147
110
0.009
15M
hecc
-0.243
522
3.547
110
0.010
15M
hecc
-0.025
523
0.915
111
0.007
15M
hecc
-1.120
524
3.701
111
0.007
15M
hecc
0.002
525
2.029
111
0.008
15M
hecc
-0.299
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