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 101-125 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Maximum force (fmax)
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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Age
✕
101
Au
72
Na
-220.823
15M
102
Au
72
Mg
-220.273
15M
103
AlAu
72
-222.069
15M
104
Au
72
Si
-223.274
15M
105
Au
72
P
-223.458
15M
106
Au
72
S
-223.028
15M
107
Au
72
Cl
-221.679
15M
108
Au
72
Ar
-218.551
15M
109
Au
72
H
-221.776
15M
110
Au
72
He
-218.530
15M
111
Au
72
Li
-221.011
15M
112
Au
72
Be
-220.240
15M
113
Au
72
B
-221.920
15M
114
Au
72
C
-222.605
15M
115
Au
72
N
-222.623
15M
116
Au
72
O
-222.603
15M
117
Au
72
F
-222.249
15M
118
Au
72
Ne
-218.546
15M
119
Au
72
Na
-220.649
15M
120
Au
72
Mg
-219.792
15M
121
AlAu
72
-221.476
15M
122
Au
72
Si
-222.175
15M
123
Au
72
P
-222.119
15M
124
Au
72
S
-221.946
15M
125
Au
72
Cl
-221.439
15M
«
1
2
3
4
5
6
7
8
9
...
21
22
23
24
»