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 76-100 out of 127
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Total energy (energy)
Chemical formula (formula)
gap
Uniqe row ID (id)
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
Volume
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
C_rate
✕
0.006
mse-gucc
95.244
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
95.340
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
95.729
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
95.398
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
97.524
0.000
6y
TTT
17285.869
0.500
0.007
mse-gucc
94.918
0.000
6y
TTT
17285.869
0.500
0.005
mse-gucc
95.750
0.000
6y
TTT
17285.869
0.500
0.006
mse-gucc
95.861
0.000
6y
TTT
17285.869
0.500
0.005
mse-gucc
96.407
0.000
6y
TTT
17285.869
0.500
0.004
mse-gucc
94.866
0.000
6y
TTT
17285.869
0.500
0.007
mse-gucc
94.162
0.000
6y
TTT
17285.869
0.500
0.009
mse-gucc
95.772
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
98.222
0.000
6y
TTT
17285.869
0.500
0.007
mse-gucc
94.770
0.000
6y
TTT
17285.869
0.500
0.006
mse-gucc
95.099
0.000
6y
TTT
17285.869
0.500
0.007
mse-gucc
95.366
0.000
6y
TTT
17285.869
0.500
0.010
mse-gucc
95.574
0.000
6y
TTT
17285.869
0.500
0.009
mse-gucc
95.198
0.000
6y
TTT
17285.869
0.500
0.009
mse-gucc
95.257
0.000
6y
TTT
17285.869
0.500
0.007
mse-gucc
94.554
0.000
6y
TTT
17285.869
0.500
0.008
mse-gucc
96.967
0.000
6y
TTT
17285.869
0.375
0.008
mse-gucc
95.672
0.000
6y
TTT
17285.869
0.375
0.005
mse-gucc
95.758
0.000
6y
TTT
17285.869
0.375
0.009
mse-gucc
95.341
0.000
6y
TTT
17285.869
0.375
0.005
mse-gucc
96.540
0.000
6y
TTT
17285.869
0.375
«
1
2
3
4
5
6
»