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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 551-575 out of 594
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Dipole_val
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
ads_E
✕
Maximum stress
✕
ads_site
✕
atom_E
✕
551
-1.954
0.008
3h
-0.225
552
-1.707
0.007
3h
-0.004
553
-3.184
0.007
3h
-0.295
554
-4.102
0.006
3h
-0.830
555
-3.815
0.006
3h
-1.888
556
-4.518
0.006
3h
-0.945
557
-3.393
0.006
3h
-0.243
558
-0.008
0.007
3h
-0.025
559
-2.559
0.007
1b
-1.120
560
-0.003
0.007
1b
0.002
561
-2.322
0.008
1b
-0.299
562
-2.589
0.008
1b
-0.039
563
-4.498
0.008
1b
-0.349
564
-5.161
0.008
1b
-1.250
565
-3.931
0.005
1b
-3.120
566
-5.094
0.005
1b
-1.530
567
-4.236
0.006
1b
-0.424
568
-0.008
0.007
1b
-0.013
569
-1.948
0.008
1b
-0.225
570
-1.691
0.008
1b
-0.004
571
-3.201
0.007
1b
-0.295
572
-4.137
0.006
1b
-0.830
573
-3.853
0.006
1b
-1.890
574
-4.557
0.005
1b
-0.945
575
-3.318
0.006
1b
-0.243
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