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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
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
✕
476
0.008
-258.362
15M
477
0.009
-257.047
15M
478
0.009
-252.152
15M
479
0.009
-253.910
15M
480
0.009
-253.224
15M
481
0.009
-254.967
15M
482
0.008
-256.295
15M
483
0.008
-257.091
15M
484
0.008
-257.197
15M
485
0.008
-255.994
15M
486
0.010
-252.157
15M
487
0.009
-255.612
15M
488
0.009
-252.135
15M
489
0.009
-254.723
15M
490
0.009
-255.208
15M
491
0.008
-257.491
15M
492
0.008
-258.897
15M
493
0.008
-259.155
15M
494
0.008
-258.532
15M
495
0.008
-256.793
15M
496
0.009
-252.153
15M
497
0.009
-254.227
15M
498
0.009
-253.927
15M
499
0.009
-255.900
15M
500
0.009
-257.481
15M
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