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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 376-400 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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
✕
PBC
✕
Username
✕
376
TTT
mse-gucc
377
TTT
mse-gucc
378
TTT
mse-gucc
379
TTT
mse-gucc
380
TTT
mse-gucc
381
TTT
mse-gucc
382
TTT
mse-gucc
383
TTT
mse-gucc
384
TTT
mse-gucc
385
TTT
mse-gucc
386
TTT
mse-gucc
387
TTT
mse-gucc
388
TTT
mse-gucc
389
TTT
mse-gucc
390
TTT
mse-gucc
391
TTT
mse-gucc
392
TTT
mse-gucc
393
TTT
mse-gucc
394
TTT
mse-gucc
395
TTT
mse-gucc
396
TTT
mse-gucc
397
TTT
mse-gucc
398
TTT
mse-gucc
399
TTT
mse-gucc
400
TTT
mse-gucc
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