Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
perms_num
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 26-50 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Age
✕
Mass
✕
PBC
✕
Maximum stress
✕
Calculator
✕
Charge
✕
Energy
✕
0.495
mse-gucc
1
7138.644
6y
17285.869
TTT
0.000
vasp
0.000
-593.061
1.020
mse-gucc
1
4702.343
6y
17285.869
TTT
0.002
vasp
0.000
-599.861
0.251
mse-gucc
2
7048.224
6y
17285.869
TTT
0.000
vasp
0.000
-593.067
0.008
mse-gucc
1
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-595.788
0.929
mse-gucc
2
3652.722
6y
17285.869
TTT
0.004
vasp
0.000
-596.856
0.916
mse-gucc
1
5326.678
6y
17285.869
TTT
0.001
vasp
0.000
-599.917
0.447
mse-gucc
2
4443.251
6y
17285.869
TTT
0.002
vasp
0.000
-600.810
0.471
mse-gucc
1
6932.989
6y
17285.869
TTT
0.000
vasp
0.000
-595.218
1.207
mse-gucc
1
4771.670
6y
17285.869
TTT
0.002
vasp
0.000
-595.215
0.274
mse-gucc
1
6294.058
6y
17285.869
TTT
0.000
vasp
0.000
-596.684
0.007
mse-gucc
1
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-597.017
0.082
mse-gucc
1
7565.245
6y
17285.869
TTT
0.000
vasp
0.000
-596.466
0.010
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-593.190
262.047
mse-gucc
2
1997.865
6y
17285.869
TTT
0.966
vasp
0.000
325.625
0.725
mse-gucc
2
3863.799
6y
17285.869
TTT
0.000
vasp
0.000
-593.937
0.596
mse-gucc
2
5219.566
6y
17285.869
TTT
0.002
vasp
0.000
-594.638
1.189
mse-gucc
1
4791.026
6y
17285.869
TTT
0.005
vasp
0.000
-594.826
0.009
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-597.430
0.694
mse-gucc
1
4573.035
6y
17285.869
TTT
0.002
vasp
0.000
-597.898
0.992
mse-gucc
1
4577.814
6y
17285.869
TTT
0.001
vasp
0.000
-598.737
109.571
mse-gucc
2
861.805
6y
17285.869
TTT
1.892
vasp
0.000
-107.098
0.009
mse-gucc
1
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-596.914
0.245
mse-gucc
2
7059.802
6y
17285.869
TTT
0.000
vasp
0.000
-593.312
0.009
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-595.887
0.008
mse-gucc
2
8000.000
6y
17285.869
TTT
0.000
vasp
0.000
-598.481
«
1
2
3
4
5
6
...
14
15
16
17
»