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SAGAR
Database
MATLAB-code
ASE database
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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 101-125 out of 127
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Database file
JSON file
VASP file
last_column file
Convex Diagram
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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
✕
0.008
mse-gucc
96.601
0.000
6y
TTT
17285.869
0.375
0.000
vasp
0.512
-132.089
0.010
mse-gucc
95.202
0.000
6y
TTT
17285.869
0.375
0.000
vasp
2.486
-136.661
0.006
mse-gucc
95.305
0.000
6y
TTT
17285.869
0.375
0.000
vasp
2.401
-135.607
0.008
mse-gucc
95.523
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.679
-135.226
0.007
mse-gucc
96.260
0.000
6y
TTT
17285.869
0.375
0.000
vasp
0.901
-133.527
0.009
mse-gucc
95.789
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.500
-134.855
0.009
mse-gucc
96.415
0.000
6y
TTT
17285.869
0.375
0.000
vasp
0.836
-132.523
0.007
mse-gucc
95.715
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.559
-134.244
0.009
mse-gucc
95.908
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.594
-133.827
0.004
mse-gucc
95.728
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.683
-134.241
0.008
mse-gucc
95.336
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.851
-135.660
0.005
mse-gucc
95.352
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.917
-136.282
0.009
mse-gucc
94.973
0.000
6y
TTT
17285.869
0.375
0.000
vasp
2.674
-137.631
0.009
mse-gucc
96.080
0.000
6y
TTT
17285.869
0.375
0.000
vasp
1.196
-133.976
0.006
mse-gucc
96.036
0.000
6y
TTT
17285.869
0.250
0.000
vasp
2.502
-135.119
0.005
mse-gucc
95.936
0.000
6y
TTT
17285.869
0.250
0.000
vasp
1.723
-135.209
0.007
mse-gucc
96.337
0.000
6y
TTT
17285.869
0.250
0.000
vasp
1.464
-133.727
0.008
mse-gucc
95.537
0.000
6y
TTT
17285.869
0.250
0.000
vasp
2.493
-136.520
0.004
mse-gucc
96.752
0.000
6y
TTT
17285.869
0.250
0.000
vasp
1.209
-132.265
0.008
mse-gucc
95.489
0.000
6y
TTT
17285.869
0.250
0.000
vasp
3.047
-135.897
0.008
mse-gucc
95.164
0.000
6y
TTT
17285.869
0.250
0.000
vasp
3.176
-137.915
0.008
mse-gucc
95.778
0.000
6y
TTT
17285.869
0.250
0.000
vasp
2.688
-135.521
0.009
mse-gucc
95.877
0.000
6y
TTT
17285.869
0.250
0.001
vasp
2.702
-135.591
0.005
mse-gucc
95.524
0.000
6y
TTT
17285.869
0.125
0.000
vasp
3.279
-137.654
0.007
mse-gucc
95.905
0.000
6y
TTT
17285.869
0.125
0.000
vasp
3.081
-136.202
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