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 1226-8 out of 8
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
✕
1226
Au
8
Si
4
-43.798
1227
Au
8
Si
4
-44.320
1228
Au
8
Si
4
-43.789
1229
Au
8
Si
4
-44.355
1230
Au
8
Si
4
-44.338
1231
Au
8
Si
4
-43.777
1232
Au
8
Si
4
-44.344
1233
Au
8
Si
4
-44.340
1234
Au
8
Si
4
-43.779
1235
Au
8
Si
4
-43.795
1236
Au
8
Si
4
-43.778
1237
Au
8
Si
4
-44.328
1238
Au
8
Si
4
-44.335
1239
Au
8
Si
4
-43.770
1240
Au
8
Si
4
-43.800
1241
Au
8
Si
4
-43.726
1242
Au
8
Si
4
-44.355
1243
Au
8
Si
4
-44.358
1244
Au
8
Si
4
-43.779
1245
Au
8
Si
4
-44.344
1246
Au
8
Si
4
-43.321
1247
Au
8
Si
4
-43.600
1248
Au
8
Si
4
-43.774
1249
Au
8
Si
4
-43.786
1250
Au
8
Si
4
-43.791
«
1
...
»