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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 526-550 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum stress
✕
Energy
✕
Age
✕
526
0.008
-195.504
15M
527
0.006
-197.683
15M
528
0.006
-199.306
15M
529
0.005
-199.897
15M
530
0.005
-199.470
15M
531
0.006
-197.506
15M
532
0.007
-192.866
15M
533
0.008
-195.024
15M
534
0.007
-194.558
15M
535
0.007
-196.341
15M
536
0.006
-197.812
15M
537
0.006
-198.589
15M
538
0.006
-198.348
15M
539
0.006
-196.487
15M
540
0.007
-192.878
15M
541
0.007
-196.520
15M
542
0.007
-192.846
15M
543
0.008
-195.476
15M
544
0.007
-195.497
15M
545
0.006
-197.667
15M
546
0.005
-199.261
15M
547
0.005
-199.816
15M
548
0.006
-199.380
15M
549
0.006
-197.474
15M
550
0.007
-192.866
15M
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