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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 2026-17 out of 17
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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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
2026
Au
10
Si
4
1717.086
2027
Au
10
Si
4
1716.047
2028
Au
10
Si
4
1716.368
2029
Au
10
Si
4
1716.536
2030
Au
10
Si
4
1717.041
2031
Au
10
Si
4
1716.395
2032
Au
10
Si
4
1717.081
2033
Au
10
Si
4
1716.469
2034
Au
10
Si
4
1716.673
2035
Au
10
Si
4
1716.240
2036
Au
10
Si
4
1716.197
2037
Au
10
Si
4
1716.789
2038
Au
10
Si
4
1716.127
2039
Au
10
Si
4
1716.340
2040
Au
10
Si
4
1716.863
2041
Au
10
Si
4
1716.503
2042
Au
10
Si
4
1716.428
2043
Au
10
Si
4
1716.635
2044
Au
10
Si
4
1717.157
2045
Au
10
Si
4
1716.887
2046
Au
10
Si
4
1716.960
2047
Au
10
Si
4
1716.639
2048
Au
10
Si
4
1717.212
2049
Au
10
Si
4
1716.704
2050
Au
10
Si
4
1716.356
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