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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 51-75 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Magnetic moment
✕
atom_E
✕
plane_index
✕
51
-0.002
-1.888
100
52
-0.000
-0.945
100
53
-0.000
-0.243
100
54
0.000
-0.025
100
55
0.000
-1.117
110
56
0.000
0.002
110
57
-0.000
-0.299
110
58
0.000
-0.039
110
59
0.000
-0.349
110
60
-0.000
-1.248
110
61
0.000
-3.124
110
62
-0.000
-1.533
110
63
-0.000
-0.424
110
64
0.000
-0.013
110
65
0.000
-0.225
110
66
-0.000
-0.004
110
67
-0.000
-0.295
110
68
0.000
-0.830
110
69
-0.000
-1.888
110
70
0.000
-0.945
110
71
0.000
-0.243
110
72
0.000
-0.025
110
73
0.000
-1.117
110
74
-0.000
0.002
110
75
0.000
-0.299
110
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