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ASE database
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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 1951-1975 out of 2180
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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)
Maximum force (fmax)
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
↓
ID
✕
Formula
✕
1951
Au
16
Si
8
1952
Au
16
Si
8
1953
Au
14
Si
8
1954
Au
16
Si
8
1955
Au
16
Si
8
1956
Au
16
Si
8
1957
Au
16
Si
8
1958
Au
16
Si
8
1959
Au
16
Si
8
1960
Au
16
Si
8
1961
Au
16
Si
8
1962
Au
16
Si
8
1963
Au
16
Si
8
1964
Au
16
Si
8
1965
Au
16
Si
8
1966
Au
16
Si
8
1967
Au
16
Si
8
1968
Au
16
Si
8
1969
Au
16
Si
8
1970
Au
16
Si
8
1971
Au
16
Si
8
1972
Au
16
Si
8
1973
Au
16
Si
8
1974
Au
16
Si
8
1975
Au
16
Si
8
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