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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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
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
✕
atom_E
✕
Maximum force
✕
51
-1.888
0.004
52
-0.945
0.009
53
-0.243
0.008
54
-0.025
0.005
55
-1.117
0.010
56
0.002
0.008
57
-0.299
0.010
58
-0.039
0.007
59
-0.349
0.009
60
-1.248
0.009
61
-3.124
0.007
62
-1.533
0.008
63
-0.424
0.010
64
-0.013
0.008
65
-0.225
0.006
66
-0.004
0.005
67
-0.295
0.005
68
-0.830
0.007
69
-1.888
0.009
70
-0.945
0.005
71
-0.243
0.010
72
-0.025
0.007
73
-1.117
0.009
74
0.002
0.010
75
-0.299
0.010
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