Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 51-75 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
51
Au
10
Si
4
1722.065
52
Au
10
Si
4
1722.084
53
Au
10
Si
4
1721.872
54
Au
10
Si
4
1721.756
55
Au
10
Si
4
1722.394
56
Au
10
Si
4
1721.851
57
Au
10
Si
4
1722.306
58
Au
10
Si
4
1721.615
59
Au
10
Si
4
1721.847
60
Au
10
Si
4
1721.793
61
Au
10
Si
4
1722.559
62
Au
10
Si
4
1722.116
63
Au
10
Si
4
1721.925
64
Au
10
Si
4
1722.036
65
Au
10
Si
4
1722.233
66
Au
10
Si
4
1721.854
67
Au
10
Si
4
1721.921
68
Au
10
Si
4
1721.609
69
Au
10
Si
4
1722.079
70
Au
10
Si
4
1721.780
71
Au
10
Si
4
1721.898
72
Au
10
Si
4
1721.789
73
Au
10
Si
4
1721.708
74
Au
10
Si
4
1722.059
75
Au
10
Si
4
1721.863
«
1
2
3
4
5
6
7
...
14
15
16
17
»