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 1-25 out of 2180
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
E
Si_rate
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
Volume
✕
Au_rate
✕
Energy
✕
1
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.197
0.714
-50.378
2
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.698
0.714
-50.382
3
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.546
0.714
-50.378
4
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.917
0.714
-50.376
5
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.976
0.714
-50.381
6
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.204
0.714
-50.382
7
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.182
0.714
-50.377
8
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.820
0.714
-50.374
9
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.837
0.714
-50.376
10
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.012
0.714
-50.380
11
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.615
0.714
-50.377
12
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.920
0.714
-50.378
13
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.786
0.714
-50.377
14
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.839
0.714
-50.370
15
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.958
0.714
-50.381
16
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.838
0.714
-50.375
17
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.682
0.714
-50.378
18
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.102
0.714
-50.378
19
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.038
0.714
-50.374
20
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.957
0.714
-50.377
21
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.997
0.714
-50.381
22
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.932
0.714
-50.372
23
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.981
0.714
-50.372
24
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.120
0.714
-50.372
25
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.904
0.714
-50.372
«
1
2
3
4
5
...
85
86
87
88
»