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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 1101-594 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
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200
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ID
✕
Formula
✕
Mass
✕
1101
Au
8
Si
4
1688.073
1102
Au
8
Si
4
1688.073
1103
Au
8
Si
4
1688.073
1104
Au
8
Si
4
1688.073
1105
Au
8
Si
4
1688.073
1106
Au
8
Si
4
1688.073
1107
Au
8
Si
4
1688.073
1108
Au
8
Si
4
1688.073
1109
Au
8
Si
4
1688.073
1110
Au
8
Si
4
1688.073
1111
Au
8
Si
4
1688.073
1112
Au
8
Si
4
1688.073
1113
Au
8
Si
4
1688.073
1114
Au
8
Si
4
1688.073
1115
Au
8
Si
4
1688.073
1116
Au
8
Si
4
1688.073
1117
Au
8
Si
4
1688.073
1118
Au
8
Si
4
1688.073
1119
Au
8
Si
4
1688.073
1120
Au
8
Si
4
1688.073
1121
Au
8
Si
4
1688.073
1122
Au
8
Si
4
1688.073
1123
Au
8
Si
4
1688.073
1124
Au
8
Si
4
1688.073
1125
Au
8
Si
4
1688.073
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