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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 376-17 out of 17
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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
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200
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ID
✕
Formula
✕
Maximum force
✕
376
Au
16
Si
8
0.008
377
Au
16
Si
8
0.051
378
Au
16
Si
8
0.008
379
Au
16
Si
8
0.008
380
Au
16
Si
8
0.131
381
Au
16
Si
8
0.006
382
Au
16
Si
8
0.009
383
Au
16
Si
8
0.008
384
Au
16
Si
8
0.031
385
Au
16
Si
8
0.009
386
Au
16
Si
8
0.015
387
Au
16
Si
8
0.007
388
Au
16
Si
8
0.008
389
Au
16
Si
8
0.008
390
Au
16
Si
8
0.009
391
Au
16
Si
8
0.034
392
Au
16
Si
8
0.569
393
Au
16
Si
8
0.009
394
Au
16
Si
8
0.026
395
Au
16
Si
8
0.024
396
Au
16
Si
8
0.038
397
Au
16
Si
8
0.009
398
Au
16
Si
8
0.034
399
Au
16
Si
8
0.008
400
Au
16
Si
8
0.033
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