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MATLAB-code
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 26-50 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Charge
✕
Volume
✕
str_E
✕
Username
✕
26
0.000
2654.442
-169.953
hecc
27
0.000
2654.442
-168.878
hecc
28
0.000
2654.442
-165.084
hecc
29
0.000
2654.442
-167.438
hecc
30
0.000
2654.442
-166.817
hecc
31
0.000
2654.442
-168.662
hecc
32
0.000
2654.442
-169.936
hecc
33
0.000
2654.442
-170.059
hecc
34
0.000
2654.442
-169.436
hecc
35
0.000
2654.442
-168.055
hecc
36
0.000
2654.442
-165.093
hecc
37
0.000
2654.442
-168.134
hecc
38
0.000
2654.442
-165.067
hecc
39
0.000
2654.442
-167.627
hecc
40
0.000
2654.442
-166.735
hecc
41
0.000
2654.442
-168.412
hecc
42
0.000
2654.442
-169.007
hecc
43
0.000
2654.442
-168.955
hecc
44
0.000
2654.442
-168.874
hecc
45
0.000
2654.442
-168.510
hecc
46
0.000
2654.442
-165.081
hecc
47
0.000
2654.442
-167.240
hecc
48
0.000
2654.442
-166.341
hecc
49
0.000
2654.442
-168.104
hecc
50
0.000
2654.442
-168.778
hecc
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