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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)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
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
✕
Charge
✕
76
17285.869
0.000
77
17285.869
0.000
78
17285.869
0.000
79
17285.869
0.000
80
17285.869
0.000
81
17285.869
0.000
82
17285.869
0.000
83
17285.869
0.000
84
17285.869
0.000
85
17285.869
0.000
86
17285.869
0.000
87
17285.869
0.000
88
17285.869
0.000
89
17285.869
0.000
90
17285.869
0.000
91
17285.869
0.000
92
17285.869
0.000
93
17285.869
0.000
94
17285.869
0.000
95
17285.869
0.000
96
17285.869
0.000
97
17285.869
0.000
98
17285.869
0.000
99
17285.869
0.000
100
17285.869
0.000
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