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MATLAB-code
ASE database
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C_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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
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 51-31 out of 31
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C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Maximum stress
✕
Mass
✕
Maximum force
✕
51
0.000
17285.869
0.007
52
0.000
17285.869
0.009
53
0.000
17285.869
0.007
54
0.000
17285.869
0.006
55
0.000
17285.869
0.009
56
0.000
17285.869
0.009
57
0.000
17285.869
0.007
58
0.000
17285.869
0.008
59
0.000
17285.869
0.007
60
0.000
17285.869
0.006
61
0.000
17285.869
0.009
62
0.000
17285.869
0.009
63
0.000
17285.869
0.007
64
0.000
17285.869
0.004
65
0.000
17285.869
0.007
66
0.000
17285.869
0.008
67
0.000
17285.869
0.006
68
0.000
17285.869
0.009
69
0.000
17285.869
0.008
70
0.000
17285.869
0.009
71
0.000
17285.869
0.007
72
0.000
17285.869
0.011
73
0.000
17285.869
0.008
74
0.000
17285.869
0.008
75
0.000
17285.869
0.010
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