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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 1-25 out of 414
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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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Mass
✕
1
Au
10
Si
4
1721.197
2082.006
2
Au
10
Si
4
1721.698
2082.006
3
Au
10
Si
4
1721.546
2082.006
4
Au
10
Si
4
1721.917
2082.006
5
Au
10
Si
4
1721.976
2082.006
6
Au
10
Si
4
1722.204
2082.006
7
Au
10
Si
4
1721.182
2082.006
8
Au
10
Si
4
1721.820
2082.006
9
Au
10
Si
4
1721.837
2082.006
10
Au
10
Si
4
1722.012
2082.006
11
Au
10
Si
4
1721.615
2082.006
12
Au
10
Si
4
1721.920
2082.006
13
Au
10
Si
4
1721.786
2082.006
14
Au
10
Si
4
1721.839
2082.006
15
Au
10
Si
4
1721.958
2082.006
16
Au
10
Si
4
1721.838
2082.006
17
Au
10
Si
4
1721.682
2082.006
18
Au
10
Si
4
1722.102
2082.006
19
Au
10
Si
4
1722.038
2082.006
20
Au
10
Si
4
1721.957
2082.006
21
Au
10
Si
4
1721.997
2082.006
22
Au
10
Si
4
1721.932
2082.006
23
Au
10
Si
4
1721.981
2082.006
24
Au
10
Si
4
1721.120
2082.006
25
Au
10
Si
4
1721.904
2082.006
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