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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 76-100 out of 594
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VASP file
last_column file
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
slab_E
✕
Charge
✕
Calculator
✕
76
-218.527
0.000
vasp
77
-218.527
0.000
vasp
78
-218.527
0.000
vasp
79
-218.527
0.000
vasp
80
-218.527
0.000
vasp
81
-218.527
0.000
vasp
82
-218.527
0.000
vasp
83
-218.527
0.000
vasp
84
-218.527
0.000
vasp
85
-218.527
0.000
vasp
86
-218.527
0.000
vasp
87
-218.527
0.000
vasp
88
-218.527
0.000
vasp
89
-218.527
0.000
vasp
90
-218.527
0.000
vasp
91
-218.527
0.000
vasp
92
-218.527
0.000
vasp
93
-218.527
0.000
vasp
94
-218.527
0.000
vasp
95
-218.527
0.000
vasp
96
-218.527
0.000
vasp
97
-218.527
0.000
vasp
98
-218.527
0.000
vasp
99
-218.527
0.000
vasp
100
-218.527
0.000
vasp
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