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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 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)
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
✕
Maximum force
✕
76
17285.869
0.000
0.009
77
17285.869
0.000
0.006
78
17285.869
0.000
0.007
79
17285.869
0.000
0.009
80
17285.869
0.000
0.010
81
17285.869
0.000
0.009
82
17285.869
0.000
0.007
83
17285.869
0.000
0.004
84
17285.869
0.000
0.005
85
17285.869
0.000
0.006
86
17285.869
0.000
0.009
87
17285.869
0.000
0.007
88
17285.869
0.000
0.009
89
17285.869
0.000
0.010
90
17285.869
0.000
0.006
91
17285.869
0.000
0.008
92
17285.869
0.000
0.009
93
17285.869
0.000
0.009
94
17285.869
0.000
0.006
95
17285.869
0.000
0.007
96
17285.869
0.000
0.009
97
17285.869
0.000
0.010
98
17285.869
0.000
0.010
99
17285.869
0.000
0.009
100
17285.869
0.000
0.007
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