Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
C_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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
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 51-75 out of 127
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
Volume
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
C_rate
✕
Maximum stress
✕
Calculator
✕
gap
✕
Energy
✕
0.007
mse-gucc
94.599
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.303
-136.676
0.009
mse-gucc
94.269
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.847
-137.604
0.007
mse-gucc
94.661
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.969
-135.632
0.006
mse-gucc
94.593
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.996
-135.972
0.009
mse-gucc
97.304
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.455
-129.195
0.009
mse-gucc
95.287
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.507
-134.768
0.007
mse-gucc
94.778
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.025
-137.219
0.008
mse-gucc
94.886
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.257
-136.797
0.007
mse-gucc
95.695
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.860
-134.527
0.006
mse-gucc
95.674
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.681
-133.917
0.009
mse-gucc
96.374
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.618
-131.920
0.009
mse-gucc
94.886
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.254
-136.123
0.007
mse-gucc
95.070
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.520
-135.187
0.004
mse-gucc
94.946
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.668
-135.642
0.007
mse-gucc
95.703
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.553
-134.028
0.008
mse-gucc
95.422
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.353
-134.274
0.006
mse-gucc
94.963
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.919
-136.185
0.009
mse-gucc
95.554
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.254
-134.934
0.008
mse-gucc
94.904
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.808
-136.771
0.009
mse-gucc
95.712
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.375
-133.706
0.007
mse-gucc
96.913
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.518
-129.445
0.011
mse-gucc
96.186
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.542
-132.167
0.008
mse-gucc
94.945
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.767
-136.723
0.008
mse-gucc
95.437
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.239
-134.923
0.010
mse-gucc
96.599
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.568
-131.495
«
1
2
3
4
5
6
»