Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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 526-550 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Magnetic moment
✕
Charge
✕
Maximum stress
✕
distance
✕
526
BeCu
54
0.000
0.000
0.008
1.451
527
Cu
54
B
-0.000
0.000
0.006
1.151
528
Cu
54
C
-0.000
0.000
0.006
0.969
529
Cu
54
N
-0.000
0.000
0.005
0.961
530
Cu
54
O
-0.000
0.000
0.005
1.074
531
Cu
54
F
0.000
0.000
0.006
1.412
532
Cu
54
Ne
-0.000
0.000
0.007
3.642
533
Cu
54
Na
0.000
0.000
0.008
2.382
534
Cu
54
Mg
-0.000
0.000
0.007
2.028
535
AlCu
54
-0.000
0.000
0.007
1.816
536
Cu
54
Si
-0.000
0.000
0.006
1.653
537
Cu
54
P
-0.000
0.000
0.006
1.587
538
Cu
54
S
-0.000
0.000
0.006
1.587
539
Cu
54
Cl
-0.000
0.000
0.006
1.825
540
Cu
54
Ar
0.000
0.000
0.007
3.872
541
Cu
54
H
-0.000
0.000
0.007
0.924
542
Cu
54
He
-0.000
0.000
0.007
3.741
543
Cu
54
Li
0.000
0.000
0.008
2.030
544
BeCu
54
0.000
0.000
0.007
1.445
545
Cu
54
B
0.000
0.000
0.006
1.126
546
Cu
54
C
-0.000
0.000
0.005
0.945
547
Cu
54
N
0.000
0.000
0.005
0.958
548
Cu
54
O
0.000
0.000
0.006
1.094
549
Cu
54
F
0.000
0.000
0.006
1.440
550
Cu
54
Ne
0.000
0.000
0.007
3.613
«
1
2
3
4
5
...
18
19
20
21
22
23
24
»