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 26-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
C_rate
ASE-calculator name (calculator)
Maximum force (fmax)
gap
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Volume
✕
Charge
✕
Energy
✕
26
B
3
C
10
N
3
5y
95.380
0.000
-133.654
27
B
3
C
10
N
3
5y
94.231
0.000
-137.538
28
B
3
C
10
N
3
5y
95.145
0.000
-134.492
29
B
3
C
10
N
3
5y
95.419
0.000
-133.096
30
B
3
C
10
N
3
5y
94.144
0.000
-138.028
31
B
3
C
10
N
3
5y
94.741
0.000
-135.581
32
B
3
C
10
N
3
5y
94.271
0.000
-136.981
33
B
3
C
10
N
3
5y
95.097
0.000
-134.246
34
B
3
C
10
N
3
5y
94.450
0.000
-136.616
35
B
3
C
10
N
3
5y
94.565
0.000
-136.045
36
B
3
C
10
N
3
5y
94.316
0.000
-137.031
37
B
3
C
10
N
3
5y
94.970
0.000
-135.294
38
B
3
C
10
N
3
5y
94.810
0.000
-135.610
39
B
3
C
10
N
3
5y
96.276
0.000
-130.128
40
B
3
C
10
N
3
5y
93.896
0.000
-139.026
41
B
3
C
10
N
3
5y
95.462
0.000
-133.536
42
B
3
C
10
N
3
5y
95.073
0.000
-134.821
43
B
3
C
10
N
3
5y
95.360
0.000
-133.286
44
B
3
C
10
N
3
5y
94.447
0.000
-137.027
45
B
3
C
10
N
3
5y
94.594
0.000
-135.979
46
B
3
C
10
N
3
5y
95.320
0.000
-133.930
47
B
3
C
10
N
3
5y
94.647
0.000
-135.987
48
B
3
C
10
N
3
5y
95.874
0.000
-132.310
49
B
3
C
10
N
3
5y
94.859
0.000
-135.304
50
B
3
C
10
N
3
5y
94.677
0.000
-135.624
«
1
2
»