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ASE database
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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 2151-594 out of 594
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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
↓
ID
✕
Formula
✕
E
✕
Au_rate
✕
Mass
✕
2151
Au
10
Si
4
0.236
0.714
2082.006
2152
Au
10
Si
4
0.237
0.714
2082.006
2153
Au
10
Si
4
0.236
0.714
2082.006
2154
Au
10
Si
4
0.236
0.714
2082.006
2155
Au
10
Si
4
0.237
0.714
2082.006
2156
Au
10
Si
4
0.236
0.714
2082.006
2157
Au
10
Si
4
0.236
0.714
2082.006
2158
Au
10
Si
4
0.237
0.714
2082.006
2159
Au
10
Si
4
0.236
0.714
2082.006
2160
Au
10
Si
4
0.236
0.714
2082.006
2161
Au
10
Si
4
0.236
0.714
2082.006
2162
Au
10
Si
4
0.236
0.714
2082.006
2163
Au
10
Si
4
0.236
0.714
2082.006
2164
Au
10
Si
4
0.236
0.714
2082.006
2165
Au
20
Si
8
0.233
0.714
4164.011
2166
Au
20
Si
8
0.233
0.714
4164.011
2167
Au
20
Si
8
0.234
0.714
4164.011
2168
Au
20
Si
8
0.234
0.714
4164.011
2169
Au
20
Si
8
0.233
0.714
4164.011
2170
Au
20
Si
8
0.233
0.714
4164.011
2171
Au
20
Si
8
0.233
0.714
4164.011
2172
Au
20
Si
8
0.233
0.714
4164.011
2173
Au
20
Si
8
0.233
0.714
4164.011
2174
Au
20
Si
8
0.234
0.714
4164.011
2175
Au
20
Si
8
0.234
0.714
4164.011
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