Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
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
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 51-75 out of 2180
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
Calculator
✕
PBC
✕
Energy
✕
Volume
✕
Mass
✕
vasp
TTT
-50.366
1722.065
17285.869
vasp
TTT
-50.363
1722.084
17285.869
vasp
TTT
-50.364
1721.872
17285.869
vasp
TTT
-50.381
1721.756
17285.869
vasp
TTT
-50.369
1722.394
17285.869
vasp
TTT
-50.380
1721.851
17285.869
vasp
TTT
-50.381
1722.306
17285.869
vasp
TTT
-50.374
1721.615
17285.869
vasp
TTT
-50.363
1721.847
17285.869
vasp
TTT
-50.375
1721.793
17285.869
vasp
TTT
-50.366
1722.559
17285.869
vasp
TTT
-50.375
1722.116
17285.869
vasp
TTT
-50.369
1721.925
17285.869
vasp
TTT
-50.366
1722.036
17285.869
vasp
TTT
-50.361
1722.233
17285.869
vasp
TTT
-50.374
1721.854
17285.869
vasp
TTT
-50.370
1721.921
17285.869
vasp
TTT
-50.379
1721.609
17285.869
vasp
TTT
-50.371
1722.079
17285.869
vasp
TTT
-50.379
1721.780
17285.869
vasp
TTT
-50.374
1721.898
17285.869
vasp
TTT
-50.379
1721.789
17285.869
vasp
TTT
-50.377
1721.708
17285.869
vasp
TTT
-50.369
1722.059
17285.869
vasp
TTT
-50.374
1721.863
17285.869
«
1
2
3
4
5
6
7
...
85
86
87
88
»