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 176-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
Net charge in unit cell (charge)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
E
✕
PBC
✕
Volume
✕
Age
✕
Energy
✕
Si_rate
✕
Maximum force
✕
Username
✕
Calculator
✕
0.293
TTT
1443.861
43M
-43.767
0.333
0.007
yangxb
vasp
0.294
TTT
1437.956
43M
-43.749
0.333
0.009
yangxb
vasp
0.244
TTT
1426.074
43M
-44.350
0.333
0.017
yangxb
vasp
0.244
TTT
1425.617
43M
-44.349
0.333
0.012
yangxb
vasp
0.292
TTT
1444.530
43M
-43.777
0.333
0.068
yangxb
vasp
0.294
TTT
1438.041
43M
-43.756
0.333
0.007
yangxb
vasp
0.292
TTT
1443.714
43M
-43.783
0.333
0.015
yangxb
vasp
0.302
TTT
1443.376
43M
-43.654
0.333
0.396
yangxb
vasp
0.291
TTT
1443.844
43M
-43.789
0.333
0.011
yangxb
vasp
0.244
TTT
1426.518
43M
-44.357
0.333
0.009
yangxb
vasp
0.294
TTT
1438.460
43M
-43.749
0.333
0.010
yangxb
vasp
0.244
TTT
1426.111
43M
-44.353
0.333
0.015
yangxb
vasp
0.293
TTT
1445.776
43M
-43.770
0.333
0.065
yangxb
vasp
0.290
TTT
1443.943
43M
-43.796
0.333
0.016
yangxb
vasp
0.275
TTT
1441.381
43M
-43.977
0.333
0.012
yangxb
vasp
0.294
TTT
1438.664
43M
-43.756
0.333
0.009
yangxb
vasp
0.244
TTT
1426.604
43M
-44.357
0.333
0.034
yangxb
vasp
0.244
TTT
1425.321
43M
-44.351
0.333
0.020
yangxb
vasp
0.244
TTT
1427.002
43M
-44.354
0.333
0.014
yangxb
vasp
0.295
TTT
1438.226
43M
-43.746
0.333
0.009
yangxb
vasp
0.243
TTT
1426.595
43M
-44.365
0.333
0.008
yangxb
vasp
0.291
TTT
1444.357
43M
-43.791
0.333
0.043
yangxb
vasp
0.294
TTT
1438.419
43M
-43.749
0.333
0.010
yangxb
vasp
0.245
TTT
1425.182
43M
-44.344
0.333
0.008
yangxb
vasp
0.245
TTT
1426.366
43M
-44.344
0.333
0.008
yangxb
vasp
«
1
...
»