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SAGAR
Database
MATLAB-code
ASE database
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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 1-18 out of 18
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Convex Diagram
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Total energy (energy)
Magnetic moment (magmom)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum stress
✕
Calculator
✕
Mass
✕
Age
✕
Charge
✕
PBC
✕
Username
✕
Maximum force
✕
Number of atoms
✕
1
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.043
80
2
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.031
80
3
In
30
Mg
2
O
48
0.002
unknown
4261.102
6y
0.000
TTT
hecc
0.050
80
4
In
30
Mg
2
O
48
0.000
unknown
4261.102
6y
0.000
TTT
hecc
0.068
80
5
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.044
80
6
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.043
80
7
In
30
Mg
2
O
48
0.002
unknown
4261.102
6y
0.000
TTT
hecc
0.039
80
8
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.050
80
9
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.045
80
10
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.108
80
11
In
30
Mg
2
O
48
0.000
unknown
4261.102
6y
0.000
TTT
hecc
0.064
80
12
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.086
80
13
In
30
Mg
2
O
48
0.000
unknown
4261.102
6y
0.000
TTT
hecc
0.119
80
14
In
30
Mg
2
O
48
0.000
unknown
4261.102
6y
0.000
TTT
hecc
0.084
80
15
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.074
80
16
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.052
80
17
In
30
Mg
2
O
48
0.001
unknown
4261.102
6y
0.000
TTT
hecc
0.043
80
18
In
30
Mg
2
O
48
0.000
unknown
4261.102
6y
0.000
TTT
hecc
0.074
80
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