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 2126-594 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
E
✕
Au_rate
✕
Mass
✕
Age
✕
Maximum force
✕
Si_rate
✕
2126
0.290
0.636
17285.869
43M
0.008
0.364
2127
0.290
0.636
17285.869
43M
0.008
0.364
2128
0.237
0.714
17285.869
43M
0.006
0.286
2129
0.236
0.714
17285.869
43M
0.005
0.286
2130
0.236
0.714
17285.869
43M
0.010
0.286
2131
0.236
0.714
17285.869
43M
0.004
0.286
2132
0.236
0.714
17285.869
43M
0.008
0.286
2133
0.236
0.714
17285.869
43M
0.006
0.286
2134
0.236
0.714
17285.869
43M
0.009
0.286
2135
0.236
0.714
17285.869
43M
0.007
0.286
2136
0.236
0.714
17285.869
43M
0.009
0.286
2137
0.236
0.714
17285.869
43M
0.005
0.286
2138
0.236
0.714
17285.869
43M
0.009
0.286
2139
0.236
0.714
17285.869
43M
0.005
0.286
2140
0.236
0.714
17285.869
43M
0.006
0.286
2141
0.236
0.714
17285.869
43M
0.008
0.286
2142
0.236
0.714
17285.869
43M
0.008
0.286
2143
0.236
0.714
17285.869
43M
0.009
0.286
2144
0.236
0.714
17285.869
43M
0.009
0.286
2145
0.237
0.714
17285.869
43M
0.007
0.286
2146
0.236
0.714
17285.869
43M
0.009
0.286
2147
0.236
0.714
17285.869
43M
0.007
0.286
2148
0.236
0.714
17285.869
43M
0.007
0.286
2149
0.236
0.714
17285.869
43M
0.009
0.286
2150
0.236
0.714
17285.869
43M
0.003
0.286
«
1
2
3
4
5
...
»