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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 226-250 out of 594
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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
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ID
✕
Formula
✕
Age
✕
Calculator
✕
226
C
60
H
36
57M
unknown
227
C
60
H
36
57M
unknown
228
C
60
H
36
57M
unknown
229
C
60
H
36
57M
unknown
230
C
60
H
36
57M
unknown
231
C
60
H
36
57M
unknown
232
C
60
H
36
57M
unknown
233
C
60
H
36
57M
unknown
234
C
60
H
36
57M
unknown
235
C
60
H
36
57M
unknown
236
C
60
H
36
57M
unknown
237
C
60
H
36
57M
unknown
238
C
60
H
36
57M
unknown
239
C
60
H
36
57M
unknown
240
C
60
H
36
57M
unknown
241
C
60
H
36
57M
unknown
242
C
60
H
36
57M
unknown
243
C
60
H
36
57M
unknown
244
C
60
H
36
57M
unknown
245
C
60
H
36
57M
unknown
246
C
60
H
36
57M
unknown
247
C
60
H
36
57M
unknown
248
C
60
H
36
57M
unknown
249
C
60
H
36
57M
unknown
250
C
60
H
36
57M
unknown
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