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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 2001-2025 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
✕
2001
Au
10
Si
4
2002
Au
10
Si
4
2003
Au
10
Si
4
2004
Au
10
Si
4
2005
Au
10
Si
4
2006
Au
10
Si
4
2007
Au
10
Si
4
2008
Au
10
Si
4
2009
Au
10
Si
4
2010
Au
10
Si
4
2011
Au
10
Si
4
2012
Au
10
Si
4
2013
Au
10
Si
4
2014
Au
10
Si
4
2015
Au
10
Si
4
2016
Au
10
Si
4
2017
Au
10
Si
4
2018
Au
10
Si
4
2019
Au
10
Si
4
2020
Au
10
Si
4
2021
Au
10
Si
4
2022
Au
10
Si
4
2023
Au
10
Si
4
2024
Au
10
Si
4
2025
Au
10
Si
4
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