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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 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)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Charge
✕
Maximum force
✕
PBC
✕
26
17285.869
0.000
0.008
TTT
27
17285.869
0.000
0.007
TTT
28
17285.869
0.000
0.009
TTT
29
17285.869
0.000
0.007
TTT
30
17285.869
0.000
0.010
TTT
31
17285.869
0.000
0.010
TTT
32
17285.869
0.000
0.004
TTT
33
17285.869
0.000
0.009
TTT
34
17285.869
0.000
0.005
TTT
35
17285.869
0.000
0.005
TTT
36
17285.869
0.000
0.008
TTT
37
17285.869
0.000
0.009
TTT
38
17285.869
0.000
0.008
TTT
39
17285.869
0.000
0.005
TTT
40
17285.869
0.000
0.007
TTT
41
17285.869
0.000
0.007
TTT
42
17285.869
0.000
0.010
TTT
43
17285.869
0.000
0.005
TTT
44
17285.869
0.000
0.009
TTT
45
17285.869
0.000
0.008
TTT
46
17285.869
0.000
0.007
TTT
47
17285.869
0.000
0.008
TTT
48
17285.869
0.000
0.010
TTT
49
17285.869
0.000
0.008
TTT
50
17285.869
0.000
0.007
TTT
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