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SAGAR
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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
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 151-175 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_num
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Username
✕
151
C
60
H
24
8000.000
mse-gucc
152
C
60
H
24
8000.000
mse-gucc
153
C
60
H
24
8000.000
mse-gucc
154
C
60
H
24
8000.000
mse-gucc
155
C
60
H
24
8000.000
mse-gucc
156
C
60
H
24
8000.000
mse-gucc
157
C
60
H
24
8000.000
mse-gucc
158
C
60
H
24
8000.000
mse-gucc
159
C
60
H
24
8000.000
mse-gucc
160
C
60
H
24
8000.000
mse-gucc
161
C
60
H
24
8000.000
mse-gucc
162
C
60
H
24
8000.000
mse-gucc
163
C
60
H
24
8000.000
mse-gucc
164
C
60
H
24
8000.000
mse-gucc
165
C
60
H
24
8000.000
mse-gucc
166
C
60
H
24
8000.000
mse-gucc
167
C
60
H
24
8000.000
mse-gucc
168
C
60
H
24
8000.000
mse-gucc
169
C
60
H
24
8000.000
mse-gucc
170
C
60
H
24
8000.000
mse-gucc
171
C
60
H
24
8000.000
mse-gucc
172
C
60
H
24
8000.000
mse-gucc
173
C
60
H
24
8000.000
mse-gucc
174
C
60
H
24
8000.000
mse-gucc
175
C
60
H
24
8000.000
mse-gucc
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