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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)
Maximum force (fmax)
Chemical formula (formula)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
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
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ID
✕
Mass
✕
Magnetic moment
✕
101
17285.869
-0.000
102
17285.869
0.000
103
17285.869
-0.000
104
17285.869
-0.000
105
17285.869
-0.003
106
17285.869
-0.000
107
17285.869
-0.000
108
17285.869
-0.000
109
17285.869
0.000
110
17285.869
0.000
111
17285.869
-0.000
112
17285.869
-0.004
113
17285.869
0.000
114
17285.869
0.001
115
17285.869
0.000
116
17285.869
-0.000
117
17285.869
0.000
118
17285.869
-0.000
119
17285.869
-0.000
120
17285.869
0.000
121
17285.869
0.000
122
17285.869
-0.000
123
17285.869
0.000
124
17285.869
-0.000
125
17285.869
-0.000
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