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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 1976-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Username
✕
Mass
✕
1976
Au
16
Si
8
0.000
yangxb
3376.145
1977
Au
16
Si
8
0.000
yangxb
3376.145
1978
Au
16
Si
8
0.000
yangxb
3376.145
1979
Au
16
Si
8
0.000
yangxb
3376.145
1980
Au
16
Si
8
0.000
yangxb
3376.145
1981
Au
16
Si
8
0.000
yangxb
3376.145
1982
Au
16
Si
8
0.000
yangxb
3376.145
1983
Au
8
Si
4
0.000
yangxb
1688.073
1984
Au
8
Si
4
0.000
yangxb
1688.073
1985
Au
8
Si
4
0.000
yangxb
1688.073
1986
Au
8
Si
4
0.000
yangxb
1688.073
1987
Au
10
Si
4
0.000
yangxb
2082.006
1988
Au
10
Si
4
0.000
yangxb
2082.006
1989
Au
10
Si
4
0.000
yangxb
2082.006
1990
Au
10
Si
4
0.000
yangxb
2082.006
1991
Au
10
Si
4
0.000
yangxb
2082.006
1992
Au
10
Si
4
0.000
yangxb
2082.006
1993
Au
10
Si
4
0.000
yangxb
2082.006
1994
Au
10
Si
4
0.000
yangxb
2082.006
1995
Au
10
Si
4
0.000
yangxb
2082.006
1996
Au
10
Si
4
0.000
yangxb
2082.006
1997
Au
10
Si
4
0.000
yangxb
2082.006
1998
Au
10
Si
4
0.000
yangxb
2082.006
1999
Au
10
Si
4
0.000
yangxb
2082.006
2000
Au
10
Si
4
0.000
yangxb
2082.006
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