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 1451-31 out of 31
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)
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
✕
Energy
✕
1451
Au
8
Si
4
-43.796
1452
Au
8
Si
4
-44.344
1453
Au
8
Si
4
-44.340
1454
Au
8
Si
4
-43.800
1455
Au
8
Si
4
-44.342
1456
Au
8
Si
4
-43.780
1457
Au
8
Si
4
-44.321
1458
Au
8
Si
4
-44.341
1459
Au
8
Si
4
-44.335
1460
Au
8
Si
4
-43.776
1461
Au
8
Si
4
-43.783
1462
Au
8
Si
4
-43.764
1463
Au
8
Si
4
-43.797
1464
Au
8
Si
4
-44.341
1465
Au
8
Si
4
-44.344
1466
Au
8
Si
4
-44.356
1467
Au
8
Si
4
-43.794
1468
Au
8
Si
4
-44.351
1469
Au
8
Si
4
-43.793
1470
Au
8
Si
4
-43.782
1471
Au
8
Si
4
-43.795
1472
Au
8
Si
4
-44.338
1473
Au
8
Si
4
-43.792
1474
Au
8
Si
4
-44.310
1475
Au
8
Si
4
-44.344
«
1
2
...
»