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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 126-18 out of 18
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum force
✕
126
Au
8
Si
4
0.019
127
Au
8
Si
4
0.006
128
Au
8
Si
4
0.280
129
Au
8
Si
4
0.010
130
Au
8
Si
4
0.007
131
Au
8
Si
4
0.007
132
Au
8
Si
4
0.010
133
Au
8
Si
4
0.018
134
Au
8
Si
4
0.008
135
Au
8
Si
4
0.009
136
Au
8
Si
4
0.023
137
Au
8
Si
4
0.029
138
Au
8
Si
4
0.008
139
Au
8
Si
4
0.008
140
Au
8
Si
4
0.017
141
Au
8
Si
4
0.049
142
Au
8
Si
4
0.019
143
Au
8
Si
4
0.008
144
Au
8
Si
4
0.010
145
Au
8
Si
4
0.010
146
Au
8
Si
4
0.015
147
Au
8
Si
4
0.020
148
Au
8
Si
4
0.065
149
Au
8
Si
4
0.009
150
Au
8
Si
4
0.008
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