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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 1276-594 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)
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
✕
179
Au
8
Si
4
1616
Au
8
Si
4
1130
Au
8
Si
4
290
Au
8
Si
4
937
Au
8
Si
4
1354
Au
8
Si
4
878
Au
8
Si
4
1431
Au
8
Si
4
1341
Au
8
Si
4
900
Au
8
Si
4
1080
Au
8
Si
4
1175
Au
8
Si
4
1024
Au
8
Si
4
1511
Au
8
Si
4
1144
Au
8
Si
4
990
Au
8
Si
4
1484
Au
8
Si
4
230
Au
8
Si
4
146
Au
8
Si
4
893
Au
8
Si
4
851
Au
8
Si
4
1395
Au
8
Si
4
1097
Au
8
Si
4
1561
Au
8
Si
4
1166
Au
8
Si
4
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