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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 76-100 out of 594
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Dipole_val
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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
plane_index
✕
76
Au
72
Be
3649.858
110
77
Au
72
B
3649.858
110
78
Au
72
C
3649.858
110
79
Au
72
N
3649.858
110
80
Au
72
O
3649.858
110
81
Au
72
F
3649.858
110
82
Au
72
Ne
3649.858
110
83
Au
72
Na
3649.858
110
84
Au
72
Mg
3649.858
110
85
AlAu
72
3649.858
110
86
Au
72
Si
3649.858
110
87
Au
72
P
3649.858
110
88
Au
72
S
3649.858
110
89
Au
72
Cl
3649.858
110
90
Au
72
Ar
3649.858
110
91
Au
72
H
3649.858
110
92
Au
72
He
3649.858
110
93
Au
72
Li
3649.858
110
94
Au
72
Be
3649.858
110
95
Au
72
B
3649.858
110
96
Au
72
C
3649.858
110
97
Au
72
N
3649.858
110
98
Au
72
O
3649.858
110
99
Au
72
F
3649.858
110
100
Au
72
Ne
3649.858
110
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