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