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MATLAB-code
ASE database
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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
gap
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
symmetry_op_number
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1-25 out of 31
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
gap
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)
symmetry_op_number
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1
BC
58
N
8000.000
2
BC
58
N
8000.000
3
BC
58
N
8000.000
4
BC
58
N
8000.000
5
BC
58
N
8000.000
6
BC
58
N
8000.000
7
BC
58
N
8000.000
8
BC
58
N
8000.000
9
BC
58
N
8000.000
10
BC
58
N
8000.000
11
BC
58
N
8000.000
12
BC
58
N
8000.000
13
BC
58
N
8000.000
14
BC
58
N
8000.000
15
BC
58
N
8000.000
16
BC
58
N
8000.000
17
BC
58
N
8000.000
18
BC
58
N
8000.000
19
BC
58
N
8000.000
20
BC
58
N
8000.000
21
BC
58
N
8000.000
22
BC
58
N
8000.000
23
BC
58
N
8000.000
24
BC
58
N
8000.000
25
BC
58
N
8000.000
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