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 51-8 out of 8
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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Username
✕
Mass
✕
Maximum stress
✕
51
Au
10
Si
4
0.000
yangxb
2082.006
0.000
52
Au
10
Si
4
0.000
yangxb
2082.006
0.001
53
Au
10
Si
4
0.000
yangxb
2082.006
0.000
54
Au
10
Si
4
0.000
yangxb
2082.006
0.001
55
Au
10
Si
4
0.000
yangxb
2082.006
0.001
56
Au
10
Si
4
0.000
yangxb
2082.006
0.001
57
Au
10
Si
4
0.000
yangxb
2082.006
0.001
58
Au
10
Si
4
0.000
yangxb
2082.006
0.000
59
Au
10
Si
4
0.000
yangxb
2082.006
0.001
60
Au
10
Si
4
0.000
yangxb
2082.006
0.001
61
Au
10
Si
4
0.000
yangxb
2082.006
0.001
62
Au
10
Si
4
0.000
yangxb
2082.006
0.001
63
Au
10
Si
4
0.000
yangxb
2082.006
0.001
64
Au
10
Si
4
0.000
yangxb
2082.006
0.001
65
Au
10
Si
4
0.000
yangxb
2082.006
0.001
66
Au
10
Si
4
0.000
yangxb
2082.006
0.001
67
Au
10
Si
4
0.000
yangxb
2082.006
0.001
68
Au
10
Si
4
0.000
yangxb
2082.006
0.001
69
Au
10
Si
4
0.000
yangxb
2082.006
0.001
70
Au
10
Si
4
0.000
yangxb
2082.006
0.001
71
Au
10
Si
4
0.000
yangxb
2082.006
0.001
72
Au
10
Si
4
0.000
yangxb
2082.006
0.001
73
Au
10
Si
4
0.000
yangxb
2082.006
0.001
74
Au
10
Si
4
0.000
yangxb
2082.006
0.001
75
Au
10
Si
4
0.000
yangxb
2082.006
0.000
«
1
»