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 76-100 out of 517
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
✕
76
Au
10
Si
4
1722.021
77
Au
10
Si
4
1722.604
78
Au
10
Si
4
1721.777
79
Au
10
Si
4
1721.742
80
Au
10
Si
4
1721.845
81
Au
10
Si
4
1721.747
82
Au
10
Si
4
1721.884
83
Au
10
Si
4
1721.746
84
Au
10
Si
4
1722.084
85
Au
10
Si
4
1722.501
86
Au
10
Si
4
1721.378
87
Au
10
Si
4
1721.753
88
Au
10
Si
4
1722.208
89
Au
20
Si
8
3442.401
90
Au
10
Si
6
1897.249
91
Au
10
Si
6
1897.081
92
Au
10
Si
6
1897.221
93
Au
10
Si
6
1897.289
94
Au
10
Si
6
1897.381
95
Au
10
Si
6
1897.418
96
Au
10
Si
6
1897.258
97
Au
10
Si
6
1897.158
98
Au
10
Si
6
1897.320
99
Au
10
Si
6
1897.134
100
Au
10
Si
6
1897.424
«
1
2
3
4
5
6
7
8
...
18
19
20
21
»