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 1076-1100 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
✕
1076
Au
8
Si
4
1077
Au
8
Si
4
1078
Au
8
Si
4
1079
Au
8
Si
4
1080
Au
8
Si
4
1081
Au
8
Si
4
1082
Au
8
Si
4
1083
Au
8
Si
4
1084
Au
8
Si
4
1085
Au
8
Si
4
1086
Au
8
Si
4
1087
Au
8
Si
4
1088
Au
8
Si
4
1089
Au
8
Si
4
1090
Au
8
Si
4
1091
Au
8
Si
4
1092
Au
8
Si
4
1093
Au
8
Si
4
1094
Au
8
Si
4
1095
Au
8
Si
4
1096
Au
8
Si
4
1097
Au
8
Si
4
1098
Au
8
Si
4
1099
Au
8
Si
4
1100
Au
8
Si
4
«
1
2
3
4
5
...
40
41
42
43
44
45
46
47
48
...
85
86
87
88
»