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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 751-31 out of 31
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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)
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
✕
Mass
✕
751
Au
8
Si
4
1688.073
752
Au
8
Si
4
1688.073
753
Au
8
Si
4
1688.073
754
Au
8
Si
4
1688.073
755
Au
8
Si
4
1688.073
756
Au
8
Si
4
1688.073
757
Au
8
Si
4
1688.073
758
Au
8
Si
4
1688.073
759
Au
8
Si
4
1688.073
760
Au
8
Si
4
1688.073
761
Au
8
Si
4
1688.073
762
Au
8
Si
4
1688.073
763
Au
8
Si
4
1688.073
764
Au
8
Si
4
1688.073
765
Au
8
Si
4
1688.073
766
Au
8
Si
4
1688.073
767
Au
8
Si
4
1688.073
768
Au
8
Si
4
1688.073
769
Au
8
Si
4
1688.073
770
Au
8
Si
4
1688.073
771
Au
8
Si
4
1688.073
772
Au
8
Si
4
1688.073
773
Au
8
Si
4
1688.073
774
Au
8
Si
4
1688.073
775
Au
8
Si
4
1688.073
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