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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 1051-1075 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
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ID
✕
Formula
✕
1051
Au
8
Si
4
1052
Au
8
Si
4
1053
Au
8
Si
4
1054
Au
8
Si
4
1055
Au
8
Si
4
1056
Au
8
Si
4
1057
Au
8
Si
4
1058
Au
8
Si
4
1059
Au
8
Si
4
1060
Au
8
Si
4
1061
Au
8
Si
4
1062
Au
8
Si
4
1063
Au
8
Si
4
1064
Au
8
Si
4
1065
Au
8
Si
4
1066
Au
8
Si
4
1067
Au
8
Si
4
1068
Au
8
Si
4
1069
Au
8
Si
4
1070
Au
8
Si
4
1071
Au
8
Si
4
1072
Au
8
Si
4
1073
Au
8
Si
4
1074
Au
8
Si
4
1075
Au
8
Si
4
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