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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
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
slab_E
✕
ads_site
✕
distance
✕
51
2654.442
-165.064
0t
2.068
52
2654.442
-165.064
0t
2.223
53
2654.442
-165.064
0t
2.348
54
2654.442
-165.064
0t
3.732
55
3649.858
-218.527
2f
0.550
56
3649.858
-218.527
2f
3.257
57
3649.858
-218.527
2f
1.239
58
3649.858
-218.527
2f
0.506
59
3649.858
-218.527
2f
0.212
60
3649.858
-218.527
2f
0.153
61
3649.858
-218.527
2f
0.283
62
3649.858
-218.527
2f
0.490
63
3649.858
-218.527
2f
1.058
64
3649.858
-218.527
2f
3.091
65
3649.858
-218.527
2f
1.723
66
3649.858
-218.527
2f
1.112
67
3649.858
-218.527
2f
0.784
68
3649.858
-218.527
2f
0.676
69
3649.858
-218.527
2f
0.689
70
3649.858
-218.527
2f
0.863
71
3649.858
-218.527
2f
1.609
72
3649.858
-218.527
2f
3.253
73
3649.858
-218.527
3b
0.625
74
3649.858
-218.527
3b
3.259
75
3649.858
-218.527
3b
1.284
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