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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 1701-1725 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
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200
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ID
✕
Formula
✕
1701
Au
10
Si
4
1702
Au
10
Si
4
1703
Au
10
Si
4
1704
Au
10
Si
4
1705
Au
10
Si
4
1706
Au
10
Si
4
1707
Au
10
Si
4
1708
Au
10
Si
4
1709
Au
10
Si
4
1710
Au
10
Si
4
1711
Au
10
Si
4
1712
Au
10
Si
4
1713
Au
10
Si
4
1714
Au
10
Si
4
1715
Au
10
Si
4
1716
Au
10
Si
4
1717
Au
10
Si
4
1718
Au
10
Si
4
1719
Au
10
Si
4
1720
Au
10
Si
4
1721
Au
10
Si
4
1722
Au
10
Si
4
1723
Au
10
Si
4
1724
Au
10
Si
4
1725
Au
10
Si
4
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