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 101-125 out of 414
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
101
Au
10
Si
6
yangxb
102
Au
10
Si
6
yangxb
103
Au
10
Si
6
yangxb
104
Au
10
Si
6
yangxb
105
Au
10
Si
6
yangxb
106
Au
10
Si
6
yangxb
107
Au
10
Si
6
yangxb
108
Au
10
Si
6
yangxb
109
Au
10
Si
6
yangxb
110
Au
10
Si
6
yangxb
111
Au
10
Si
6
yangxb
112
Au
10
Si
6
yangxb
113
Au
10
Si
6
yangxb
114
Au
10
Si
6
yangxb
115
Au
10
Si
6
yangxb
116
Au
10
Si
6
yangxb
117
Au
10
Si
6
yangxb
118
Au
10
Si
6
yangxb
119
Au
10
Si
6
yangxb
120
Au
10
Si
6
yangxb
121
Au
10
Si
6
yangxb
122
Au
10
Si
6
yangxb
123
Au
10
Si
6
yangxb
124
Au
10
Si
6
yangxb
125
Au
8
Si
4
yangxb
«
1
2
3
4
5
6
7
8
9
...
14
15
16
17
»