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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 451-8 out of 8
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
distance
✕
Volume
✕
451
Cu
72
H
0.450
2163.104
452
Cu
72
He
3.443
2163.104
453
Cu
72
Li
1.446
2163.104
454
BeCu
72
0.756
2163.104
455
Cu
72
B
0.457
2163.104
456
Cu
72
C
0.360
2163.104
457
Cu
72
N
0.400
2163.104
458
Cu
72
O
0.561
2163.104
459
Cu
72
F
0.997
2163.104
460
Cu
72
Ne
3.322
2163.104
461
Cu
72
Na
1.908
2163.104
462
Cu
72
Mg
1.395
2163.104
463
AlCu
72
1.086
2163.104
464
Cu
72
Si
0.917
2163.104
465
Cu
72
P
0.924
2163.104
466
Cu
72
S
1.028
2163.104
467
Cu
72
Cl
1.470
2163.104
468
Cu
72
Ar
3.492
2163.104
469
Cu
72
H
1.065
2163.104
470
Cu
72
He
3.762
2163.104
471
Cu
72
Li
2.042
2163.104
472
BeCu
72
1.552
2163.104
473
Cu
72
B
0.820
2163.104
474
Cu
72
C
-1.144
2163.104
475
Cu
72
N
1.014
2163.104
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