Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Magnetic moment
✕
Username
✕
51
17285.869
-0.002
hecc
52
17285.869
-0.000
hecc
53
17285.869
-0.000
hecc
54
17285.869
0.000
hecc
55
17285.869
0.000
hecc
56
17285.869
0.000
hecc
57
17285.869
-0.000
hecc
58
17285.869
0.000
hecc
59
17285.869
0.000
hecc
60
17285.869
-0.000
hecc
61
17285.869
0.000
hecc
62
17285.869
-0.000
hecc
63
17285.869
-0.000
hecc
64
17285.869
0.000
hecc
65
17285.869
0.000
hecc
66
17285.869
-0.000
hecc
67
17285.869
-0.000
hecc
68
17285.869
0.000
hecc
69
17285.869
-0.000
hecc
70
17285.869
0.000
hecc
71
17285.869
0.000
hecc
72
17285.869
0.000
hecc
73
17285.869
0.000
hecc
74
17285.869
-0.000
hecc
75
17285.869
0.000
hecc
«
1
2
3
4
5
6
7
...
21
22
23
24
»