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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 76-100 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
✕
76
3649.858
-218.527
3b
0.376
77
3649.858
-218.527
3b
0.004
78
3649.858
-218.527
3b
-0.057
79
3649.858
-218.527
3b
1.019
80
3649.858
-218.527
3b
1.128
81
3649.858
-218.527
3b
1.287
82
3649.858
-218.527
3b
3.219
83
3649.858
-218.527
3b
1.783
84
3649.858
-218.527
3b
1.048
85
3649.858
-218.527
3b
0.555
86
3649.858
-218.527
3b
0.496
87
3649.858
-218.527
3b
0.638
88
3649.858
-218.527
3b
1.456
89
3649.858
-218.527
3b
1.702
90
3649.858
-218.527
3b
3.199
91
3649.858
-218.527
1b
1.011
92
3649.858
-218.527
1b
3.531
93
3649.858
-218.527
1b
2.014
94
3649.858
-218.527
1b
0.794
95
3649.858
-218.527
1b
-1.286
96
3649.858
-218.527
1b
0.883
97
3649.858
-218.527
1b
1.085
98
3649.858
-218.527
1b
1.199
99
3649.858
-218.527
1b
1.545
100
3649.858
-218.527
1b
3.558
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