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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 1076-31 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
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200
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ID
✕
Formula
✕
Mass
✕
1076
Au
8
Si
4
1688.073
1077
Au
8
Si
4
1688.073
1078
Au
8
Si
4
1688.073
1079
Au
8
Si
4
1688.073
1080
Au
8
Si
4
1688.073
1081
Au
8
Si
4
1688.073
1082
Au
8
Si
4
1688.073
1083
Au
8
Si
4
1688.073
1084
Au
8
Si
4
1688.073
1085
Au
8
Si
4
1688.073
1086
Au
8
Si
4
1688.073
1087
Au
8
Si
4
1688.073
1088
Au
8
Si
4
1688.073
1089
Au
8
Si
4
1688.073
1090
Au
8
Si
4
1688.073
1091
Au
8
Si
4
1688.073
1092
Au
8
Si
4
1688.073
1093
Au
8
Si
4
1688.073
1094
Au
8
Si
4
1688.073
1095
Au
8
Si
4
1688.073
1096
Au
8
Si
4
1688.073
1097
Au
8
Si
4
1688.073
1098
Au
8
Si
4
1688.073
1099
Au
8
Si
4
1688.073
1100
Au
8
Si
4
1688.073
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