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 101-8 out of 8
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
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
PBC
✕
Calculator
✕
distance
✕
Volume
✕
Energy
✕
TTT
vasp
2.409
3649.858
-220.823
TTT
vasp
1.938
3649.858
-220.273
TTT
vasp
1.701
3649.858
-222.069
TTT
vasp
1.560
3649.858
-223.274
TTT
vasp
1.549
3649.858
-223.458
TTT
vasp
1.636
3649.858
-223.028
TTT
vasp
1.936
3649.858
-221.679
TTT
vasp
3.439
3649.858
-218.551
TTT
vasp
1.599
3649.858
-221.776
TTT
vasp
3.610
3649.858
-218.530
TTT
vasp
2.237
3649.858
-221.011
TTT
vasp
2.078
3649.858
-220.240
TTT
vasp
1.927
3649.858
-221.920
TTT
vasp
1.835
3649.858
-222.605
TTT
vasp
1.836
3649.858
-222.623
TTT
vasp
1.889
3649.858
-222.603
TTT
vasp
2.038
3649.858
-222.249
TTT
vasp
3.629
3649.858
-218.546
TTT
vasp
2.544
3649.858
-220.649
TTT
vasp
2.384
3649.858
-219.792
TTT
vasp
2.395
3649.858
-221.476
TTT
vasp
2.136
3649.858
-222.175
TTT
vasp
2.139
3649.858
-222.119
TTT
vasp
2.212
3649.858
-221.946
TTT
vasp
2.331
3649.858
-221.439
«
1
»