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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 101-125 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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
PBC
✕
Maximum force
✕
101
3649.858
TTT
0.009
102
3649.858
TTT
0.008
103
3649.858
TTT
0.007
104
3649.858
TTT
0.006
105
3649.858
TTT
0.009
106
3649.858
TTT
0.007
107
3649.858
TTT
0.009
108
3649.858
TTT
0.007
109
3649.858
TTT
0.006
110
3649.858
TTT
0.008
111
3649.858
TTT
0.008
112
3649.858
TTT
0.006
113
3649.858
TTT
0.005
114
3649.858
TTT
0.006
115
3649.858
TTT
0.008
116
3649.858
TTT
0.008
117
3649.858
TTT
0.007
118
3649.858
TTT
0.009
119
3649.858
TTT
0.009
120
3649.858
TTT
0.009
121
3649.858
TTT
0.010
122
3649.858
TTT
0.006
123
3649.858
TTT
0.034
124
3649.858
TTT
0.010
125
3649.858
TTT
0.006
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