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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
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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200
↓
ID
✕
Formula
✕
Si_rate
✕
1051
Au
8
Si
4
0.333
1052
Au
8
Si
4
0.333
1053
Au
8
Si
4
0.333
1054
Au
8
Si
4
0.333
1055
Au
8
Si
4
0.333
1056
Au
8
Si
4
0.333
1057
Au
8
Si
4
0.333
1058
Au
8
Si
4
0.333
1059
Au
8
Si
4
0.333
1060
Au
8
Si
4
0.333
1061
Au
8
Si
4
0.333
1062
Au
8
Si
4
0.333
1063
Au
8
Si
4
0.333
1064
Au
8
Si
4
0.333
1065
Au
8
Si
4
0.333
1066
Au
8
Si
4
0.333
1067
Au
8
Si
4
0.333
1068
Au
8
Si
4
0.333
1069
Au
8
Si
4
0.333
1070
Au
8
Si
4
0.333
1071
Au
8
Si
4
0.333
1072
Au
8
Si
4
0.333
1073
Au
8
Si
4
0.333
1074
Au
8
Si
4
0.333
1075
Au
8
Si
4
0.333
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