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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 101-125 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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
PBC
✕
Username
✕
Charge
✕
Magnetic moment
✕
101
TTT
hecc
0.000
-0.000
102
TTT
hecc
0.000
0.000
103
TTT
hecc
0.000
-0.000
104
TTT
hecc
0.000
-0.000
105
TTT
hecc
0.000
-0.003
106
TTT
hecc
0.000
-0.000
107
TTT
hecc
0.000
-0.000
108
TTT
hecc
0.000
-0.000
109
TTT
hecc
0.000
0.000
110
TTT
hecc
0.000
0.000
111
TTT
hecc
0.000
-0.000
112
TTT
hecc
0.000
-0.004
113
TTT
hecc
0.000
0.000
114
TTT
hecc
0.000
0.001
115
TTT
hecc
0.000
0.000
116
TTT
hecc
0.000
-0.000
117
TTT
hecc
0.000
0.000
118
TTT
hecc
0.000
-0.000
119
TTT
hecc
0.000
-0.000
120
TTT
hecc
0.000
0.000
121
TTT
hecc
0.000
0.000
122
TTT
hecc
0.000
-0.000
123
TTT
hecc
0.000
0.000
124
TTT
hecc
0.000
-0.000
125
TTT
hecc
0.000
-0.000
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