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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
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
perms_num
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 26-50 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Volume
✕
26
17285.869
7138.644
27
17285.869
4702.343
28
17285.869
7048.224
29
17285.869
8000.000
30
17285.869
3652.722
31
17285.869
5326.678
32
17285.869
4443.251
33
17285.869
6932.989
34
17285.869
4771.670
35
17285.869
6294.058
36
17285.869
8000.000
37
17285.869
7565.245
38
17285.869
8000.000
39
17285.869
1997.865
40
17285.869
3863.799
41
17285.869
5219.566
42
17285.869
4791.026
43
17285.869
8000.000
44
17285.869
4573.035
45
17285.869
4577.814
46
17285.869
861.805
47
17285.869
8000.000
48
17285.869
7059.802
49
17285.869
8000.000
50
17285.869
8000.000
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