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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 201-31 out of 31
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
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
✕
Maximum force
✕
Calculator
✕
201
C
60
H
36
0.010
unknown
202
C
60
H
36
0.010
unknown
203
C
60
H
36
0.011
unknown
204
C
60
H
36
0.009
unknown
205
C
60
H
36
0.029
unknown
206
C
60
H
36
0.010
unknown
207
C
60
H
36
0.007
unknown
208
C
60
H
36
0.011
unknown
209
C
60
H
36
0.009
unknown
210
C
60
H
36
0.010
unknown
211
C
60
H
36
0.150
unknown
212
C
60
H
36
0.008
unknown
213
C
60
H
36
0.959
unknown
214
C
60
H
36
0.009
unknown
215
C
60
H
36
0.008
unknown
216
C
60
H
36
0.012
unknown
217
C
60
H
36
0.014
unknown
218
C
60
H
36
0.009
unknown
219
C
60
H
36
0.007
unknown
220
C
60
H
36
0.010
unknown
221
C
60
H
36
0.009
unknown
222
C
60
H
36
0.008
unknown
223
C
60
H
36
0.018
unknown
224
C
60
H
36
0.012
unknown
225
C
60
H
36
0.009
unknown
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