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 1101-1125 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)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
1101
Au
8
Si
4
1102
Au
8
Si
4
1103
Au
8
Si
4
1104
Au
8
Si
4
1105
Au
8
Si
4
1106
Au
8
Si
4
1107
Au
8
Si
4
1108
Au
8
Si
4
1109
Au
8
Si
4
1110
Au
8
Si
4
1111
Au
8
Si
4
1112
Au
8
Si
4
1113
Au
8
Si
4
1114
Au
8
Si
4
1115
Au
8
Si
4
1116
Au
8
Si
4
1117
Au
8
Si
4
1118
Au
8
Si
4
1119
Au
8
Si
4
1120
Au
8
Si
4
1121
Au
8
Si
4
1122
Au
8
Si
4
1123
Au
8
Si
4
1124
Au
8
Si
4
1125
Au
8
Si
4
«
1
2
3
4
5
...
41
42
43
44
45
46
47
48
49
...
85
86
87
88
»