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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 801-594 out of 594
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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
✕
801
Au
8
Si
4
1688.073
802
Au
8
Si
4
1688.073
803
Au
8
Si
4
1688.073
804
Au
8
Si
4
1688.073
805
Au
10
Si
4
2082.006
806
Au
16
Si
8
3376.145
807
Au
16
Si
8
3376.145
808
Au
16
Si
8
3376.145
809
Au
16
Si
8
3376.145
810
Au
16
Si
8
3376.145
811
Au
16
Si
8
3376.145
812
Au
16
Si
8
3376.145
813
Au
16
Si
8
3376.145
814
Au
16
Si
8
3376.145
815
Au
16
Si
8
3376.145
816
Au
16
Si
8
3376.145
817
Au
16
Si
8
3376.145
818
Au
8
Si
4
1688.073
819
Au
8
Si
4
1688.073
820
Au
8
Si
4
1688.073
821
Au
8
Si
4
1688.073
822
Au
8
Si
4
1688.073
823
Au
8
Si
4
1688.073
824
Au
8
Si
4
1688.073
825
Au
8
Si
4
1688.073
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