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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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ads_E
ads_site
Time since creation (age)
atom_E
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
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
✕
Dipole_val
✕
76
-218.527
-0.299
77
-218.527
0.021
78
-218.527
0.079
79
-218.527
0.957
80
-218.527
1.357
81
-218.527
1.379
82
-218.527
-0.009
83
-218.527
-3.991
84
-218.527
-2.085
85
-218.527
-0.667
86
-218.527
-0.217
87
-218.527
-0.015
88
-218.527
0.997
89
-218.527
1.110
90
-218.527
-0.110
91
-218.527
0.080
92
-218.527
-0.023
93
-218.527
-4.421
94
-218.527
-1.284
95
-218.527
-0.273
96
-218.527
0.571
97
-218.527
1.173
98
-218.527
1.637
99
-218.527
1.741
100
-218.527
-0.015
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