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 76-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Calculator
✕
E
✕
Energy
✕
Mass
✕
Volume
✕
76
Au
10
Si
4
vasp
0.237
-50.364
2082.006
1722.021
77
Au
10
Si
4
vasp
0.236
-50.370
2082.006
1722.604
78
Au
10
Si
4
vasp
0.236
-50.375
2082.006
1721.777
79
Au
10
Si
4
vasp
0.236
-50.371
2082.006
1721.742
80
Au
10
Si
4
vasp
0.236
-50.367
2082.006
1721.845
81
Au
10
Si
4
vasp
0.237
-50.366
2082.006
1721.747
82
Au
10
Si
4
vasp
0.236
-50.374
2082.006
1721.884
83
Au
10
Si
4
vasp
0.236
-50.371
2082.006
1721.746
84
Au
10
Si
4
vasp
0.237
-50.362
2082.006
1722.084
85
Au
10
Si
4
vasp
0.237
-50.366
2082.006
1722.501
86
Au
10
Si
4
vasp
0.236
-50.370
2082.006
1721.378
87
Au
10
Si
4
vasp
0.236
-50.370
2082.006
1721.753
88
Au
10
Si
4
vasp
0.237
-50.361
2082.006
1722.208
89
Au
20
Si
8
vasp
0.233
-100.835
4164.011
3442.401
90
Au
10
Si
6
vasp
0.303
-59.672
2138.176
1897.249
91
Au
10
Si
6
vasp
0.303
-59.676
2138.176
1897.081
92
Au
10
Si
6
vasp
0.303
-59.681
2138.176
1897.221
93
Au
10
Si
6
vasp
0.303
-59.679
2138.176
1897.289
94
Au
10
Si
6
vasp
0.303
-59.678
2138.176
1897.381
95
Au
10
Si
6
vasp
0.303
-59.678
2138.176
1897.418
96
Au
10
Si
6
vasp
0.303
-59.678
2138.176
1897.258
97
Au
10
Si
6
vasp
0.303
-59.681
2138.176
1897.158
98
Au
10
Si
6
vasp
0.303
-59.681
2138.176
1897.320
99
Au
10
Si
6
vasp
0.303
-59.682
2138.176
1897.134
100
Au
10
Si
6
vasp
0.303
-59.678
2138.176
1897.424
«
1
»