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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 2180
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Time since creation (age)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Calculator
✕
101
C
60
H
36
unknown
102
C
60
H
36
unknown
103
C
60
H
36
unknown
104
C
60
H
36
unknown
105
C
60
H
36
unknown
106
C
60
H
36
unknown
107
C
60
H
36
unknown
108
C
60
H
36
unknown
109
C
60
H
36
unknown
110
C
60
H
36
unknown
111
C
60
H
36
unknown
112
C
60
H
36
unknown
113
C
60
H
36
unknown
114
C
60
H
36
unknown
115
C
60
H
36
unknown
116
C
60
H
36
unknown
117
C
60
H
36
unknown
118
C
60
H
36
unknown
119
C
60
H
36
unknown
120
C
60
H
36
unknown
121
C
60
H
36
unknown
122
C
60
H
36
unknown
123
C
60
H
36
unknown
124
C
60
H
36
unknown
125
C
60
H
36
unknown
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