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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 476-500 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)
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
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
atom_E
✕
Maximum force
✕
Magnetic moment
✕
476
hecc
-1.533
0.009
0.000
477
hecc
-0.424
0.005
0.000
478
hecc
-0.013
0.009
-0.000
479
hecc
-0.225
0.008
-0.000
480
hecc
-0.004
0.009
-0.000
481
hecc
-0.295
0.007
0.000
482
hecc
-0.830
0.009
0.000
483
hecc
-1.888
0.006
-0.000
484
hecc
-0.945
0.008
0.000
485
hecc
-0.243
0.009
0.000
486
hecc
-0.025
0.007
-0.000
487
hecc
-1.117
0.007
-0.000
488
hecc
0.002
0.009
-0.000
489
hecc
-0.299
0.009
-0.000
490
hecc
-0.039
0.007
0.000
491
hecc
-0.349
0.010
0.000
492
hecc
-1.248
0.009
0.000
493
hecc
-3.124
0.007
0.000
494
hecc
-1.533
0.009
-0.000
495
hecc
-0.424
0.008
-0.000
496
hecc
-0.013
0.009
0.000
497
hecc
-0.225
0.005
-0.000
498
hecc
-0.004
0.010
0.000
499
hecc
-0.295
0.005
-0.000
500
hecc
-0.830
0.006
0.000
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