Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 76-100 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Maximum force
✕
Energy
✕
76
hecc
0.009
-222.247
77
hecc
0.006
-224.037
78
hecc
0.007
-224.356
79
hecc
0.009
-223.581
80
hecc
0.010
-223.229
81
hecc
0.009
-222.245
82
hecc
0.007
-218.548
83
hecc
0.004
-221.145
84
hecc
0.005
-220.986
85
hecc
0.006
-222.861
86
hecc
0.009
-223.955
87
hecc
0.007
-223.843
88
hecc
0.009
-222.907
89
hecc
0.010
-221.497
90
hecc
0.006
-218.552
91
hecc
0.008
-221.957
92
hecc
0.009
-218.530
93
hecc
0.009
-221.258
94
hecc
0.006
-221.998
95
hecc
0.007
-224.163
96
hecc
0.009
-224.114
97
hecc
0.010
-223.914
98
hecc
0.010
-223.523
99
hecc
0.009
-222.402
100
hecc
0.007
-218.547
«
1
2
3
4
5
6
7
8
...
21
22
23
24
»