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Au_rate
E
Si_rate
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
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 351-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
351
Au
16
Si
8
0.006
352
Au
16
Si
8
0.007
353
Au
16
Si
8
0.009
354
Au
16
Si
8
0.166
355
Au
16
Si
8
0.219
356
Au
16
Si
8
0.009
357
Au
16
Si
8
0.008
358
Au
16
Si
8
0.031
359
Au
16
Si
8
0.015
360
Au
16
Si
8
0.010
361
Au
16
Si
8
0.021
362
Au
16
Si
8
0.038
363
Au
16
Si
8
0.006
364
Au
16
Si
8
0.153
365
Au
16
Si
8
0.074
366
Au
16
Si
8
0.008
367
Au
16
Si
8
0.019
368
Au
16
Si
8
0.007
369
Au
16
Si
8
0.231
370
Au
16
Si
8
0.009
371
Au
16
Si
8
0.009
372
Au
16
Si
8
0.030
373
Au
16
Si
8
0.008
374
Au
16
Si
8
0.017
375
Au
16
Si
8
0.014
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