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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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ads_E
Time since creation (age)
atom_E
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Dipole_val
✕
Maximum force
✕
ads_site
✕
slab_E
✕
76
-0.299
0.009
3b
-218.527
77
0.021
0.006
3b
-218.527
78
0.079
0.007
3b
-218.527
79
0.957
0.009
3b
-218.527
80
1.357
0.010
3b
-218.527
81
1.379
0.009
3b
-218.527
82
-0.009
0.007
3b
-218.527
83
-3.991
0.004
3b
-218.527
84
-2.085
0.005
3b
-218.527
85
-0.667
0.006
3b
-218.527
86
-0.217
0.009
3b
-218.527
87
-0.015
0.007
3b
-218.527
88
0.997
0.009
3b
-218.527
89
1.110
0.010
3b
-218.527
90
-0.110
0.006
3b
-218.527
91
0.080
0.008
1b
-218.527
92
-0.023
0.009
1b
-218.527
93
-4.421
0.009
1b
-218.527
94
-1.284
0.006
1b
-218.527
95
-0.273
0.007
1b
-218.527
96
0.571
0.009
1b
-218.527
97
1.173
0.010
1b
-218.527
98
1.637
0.010
1b
-218.527
99
1.741
0.009
1b
-218.527
100
-0.015
0.007
1b
-218.527
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