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 1276-17 out of 17
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
✕
1276
Au
8
Si
4
yangxb
1277
Au
8
Si
4
yangxb
1278
Au
8
Si
4
yangxb
1279
Au
8
Si
4
yangxb
1280
Au
8
Si
4
yangxb
1281
Au
8
Si
4
yangxb
1282
Au
8
Si
4
yangxb
1283
Au
8
Si
4
yangxb
1284
Au
8
Si
4
yangxb
1285
Au
8
Si
4
yangxb
1286
Au
8
Si
4
yangxb
1287
Au
8
Si
4
yangxb
1288
Au
8
Si
4
yangxb
1289
Au
8
Si
4
yangxb
1290
Au
8
Si
4
yangxb
1291
Au
8
Si
4
yangxb
1292
Au
8
Si
4
yangxb
1293
Au
8
Si
4
yangxb
1294
Au
8
Si
4
yangxb
1295
Au
8
Si
4
yangxb
1296
Au
8
Si
4
yangxb
1297
Au
8
Si
4
yangxb
1298
Au
8
Si
4
yangxb
1299
Au
8
Si
4
yangxb
1300
Au
8
Si
4
yangxb
«
1
...
»