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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 101-8 out of 8
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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)
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
✕
PBC
✕
Mass
✕
Charge
✕
101
TTT
17285.869
0.000
102
TTT
17285.869
0.000
103
TTT
17285.869
0.000
104
TTT
17285.869
0.000
105
TTT
17285.869
0.000
106
TTT
17285.869
0.000
107
TTT
17285.869
0.000
108
TTT
17285.869
0.000
109
TTT
17285.869
0.000
110
TTT
17285.869
0.000
111
TTT
17285.869
0.000
112
TTT
17285.869
0.000
113
TTT
17285.869
0.000
114
TTT
17285.869
0.000
115
TTT
17285.869
0.000
116
TTT
17285.869
0.000
117
TTT
17285.869
0.000
118
TTT
17285.869
0.000
119
TTT
17285.869
0.000
120
TTT
17285.869
0.000
121
TTT
17285.869
0.000
122
TTT
17285.869
0.000
123
TTT
17285.869
0.000
124
TTT
17285.869
0.000
125
TTT
17285.869
0.000
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