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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
perms_num
perms_number
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 101-125 out of 414
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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)
perms_number
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Username
✕
101
C
60
H
36
8000.000
hecc
102
C
60
H
36
8000.000
hecc
103
C
60
H
36
8000.000
hecc
104
C
60
H
36
8000.000
hecc
105
C
60
H
36
8000.000
hecc
106
C
60
H
36
8000.000
hecc
107
C
60
H
36
8000.000
hecc
108
C
60
H
36
8000.000
hecc
109
C
60
H
36
8000.000
hecc
110
C
60
H
36
8000.000
hecc
111
C
60
H
36
8000.000
hecc
112
C
60
H
36
8000.000
hecc
113
C
60
H
36
8000.000
hecc
114
C
60
H
36
8000.000
hecc
115
C
60
H
36
8000.000
hecc
116
C
60
H
36
8000.000
hecc
117
C
60
H
36
8000.000
hecc
118
C
60
H
36
8000.000
hecc
119
C
60
H
36
8000.000
hecc
120
C
60
H
36
8000.000
hecc
121
C
60
H
36
8000.000
hecc
122
C
60
H
36
8000.000
hecc
123
C
60
H
36
8000.000
hecc
124
C
60
H
36
8000.000
hecc
125
C
60
H
36
8000.000
hecc
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