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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 576-594 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
Formula
✕
Mass
✕
Age
✕
distance
✕
576
Cu
54
Ar
3471.432
15M
4.003
577
Cu
54
H
3432.492
15M
1.519
578
Cu
54
He
3435.487
15M
3.707
579
Cu
54
Li
3438.424
15M
2.080
580
BeCu
54
3440.496
15M
1.533
581
Cu
54
B
3442.294
15M
1.497
582
Cu
54
C
3443.495
15M
1.476
583
Cu
54
N
3445.491
15M
1.581
584
Cu
54
O
3447.483
15M
1.643
585
Cu
54
F
3450.482
15M
1.854
586
Cu
54
Ne
3451.664
15M
3.559
587
Cu
54
Na
3454.474
15M
2.403
588
Cu
54
Mg
3455.789
15M
2.052
589
AlCu
54
3458.466
15M
1.947
590
Cu
54
Si
3459.569
15M
1.736
591
Cu
54
P
3462.458
15M
1.610
592
Cu
54
S
3463.544
15M
1.800
593
Cu
54
Cl
3466.934
15M
2.184
594
Cu
54
Ar
3471.432
15M
3.846
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