Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
C_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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
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 76-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
gap
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
ID
✕
Maximum force
✕
↓
Maximum stress
✕
111
0.008
0.000
118
0.008
0.000
28
0.006
0.000
108
0.007
0.000
42
0.008
0.000
92
0.010
0.000
36
0.006
0.000
95
0.007
0.000
112
0.005
0.000
39
0.007
0.000
9
0.006
0.000
83
0.006
0.000
93
0.009
0.000
110
0.004
0.000
40
0.031
0.000
85
0.004
0.000
103
0.006
0.000
17
0.009
0.000
84
0.005
0.000
96
0.008
0.000
86
0.007
0.000
63
0.007
0.000
66
0.008
0.000
64
0.004
0.000
41
0.010
0.000
«
1
2
»