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 51-8 out of 8
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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Calculator
✕
Username
✕
Energy
✕
51
vasp
yangxb
-50.366
52
vasp
yangxb
-50.363
53
vasp
yangxb
-50.364
54
vasp
yangxb
-50.381
55
vasp
yangxb
-50.369
56
vasp
yangxb
-50.380
57
vasp
yangxb
-50.381
58
vasp
yangxb
-50.374
59
vasp
yangxb
-50.363
60
vasp
yangxb
-50.375
61
vasp
yangxb
-50.366
62
vasp
yangxb
-50.375
63
vasp
yangxb
-50.369
64
vasp
yangxb
-50.366
65
vasp
yangxb
-50.361
66
vasp
yangxb
-50.374
67
vasp
yangxb
-50.370
68
vasp
yangxb
-50.379
69
vasp
yangxb
-50.371
70
vasp
yangxb
-50.379
71
vasp
yangxb
-50.374
72
vasp
yangxb
-50.379
73
vasp
yangxb
-50.377
74
vasp
yangxb
-50.369
75
vasp
yangxb
-50.374
«
1
»