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 127
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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
51
Au
10
Si
4
2082.006
52
Au
10
Si
4
2082.006
53
Au
10
Si
4
2082.006
54
Au
10
Si
4
2082.006
55
Au
10
Si
4
2082.006
56
Au
10
Si
4
2082.006
57
Au
10
Si
4
2082.006
58
Au
10
Si
4
2082.006
59
Au
10
Si
4
2082.006
60
Au
10
Si
4
2082.006
61
Au
10
Si
4
2082.006
62
Au
10
Si
4
2082.006
63
Au
10
Si
4
2082.006
64
Au
10
Si
4
2082.006
65
Au
10
Si
4
2082.006
66
Au
10
Si
4
2082.006
67
Au
10
Si
4
2082.006
68
Au
10
Si
4
2082.006
69
Au
10
Si
4
2082.006
70
Au
10
Si
4
2082.006
71
Au
10
Si
4
2082.006
72
Au
10
Si
4
2082.006
73
Au
10
Si
4
2082.006
74
Au
10
Si
4
2082.006
75
Au
10
Si
4
2082.006
«
1
2
3
4
5
6
»