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 126-150 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
✕
distance
✕
atom_E
✕
Age
✕
Energy
✕
126
Au
72
Ar
3.566
-0.025
15M
-218.555
127
Au
45
H
0.774
-1.120
15M
-141.912
128
Au
45
He
3.648
0.002
15M
-138.731
129
Au
45
Li
1.967
-0.299
15M
-141.636
130
Au
45
Be
1.201
-0.039
15M
-141.723
131
Au
45
B
0.511
-0.349
15M
-143.780
132
Au
45
C
0.514
-1.250
15M
-144.527
133
Au
45
N
0.856
-3.120
15M
-144.187
134
Au
45
O
1.014
-1.530
15M
-143.540
135
Au
45
F
1.554
-0.424
15M
-142.249
136
Au
45
Ne
3.625
-0.013
15M
-138.747
137
Au
45
Na
2.334
-0.225
15M
-141.146
138
Au
45
Mg
1.893
-0.004
15M
-140.579
139
AlAu
45
1.708
-0.295
15M
-142.301
140
Au
45
Si
1.527
-0.830
15M
-143.667
141
Au
45
P
1.446
-1.890
15M
-143.967
142
Au
45
S
1.516
-0.945
15M
-143.196
143
Au
45
Cl
1.975
-0.243
15M
-141.422
144
Au
45
Ar
3.751
-0.025
15M
-138.753
145
Au
45
H
0.710
-1.117
15M
-141.936
146
Au
45
He
3.620
0.002
15M
-138.730
147
Au
45
Li
1.971
-0.299
15M
-141.640
148
Au
45
Be
1.202
-0.039
15M
-141.741
149
Au
45
B
0.625
-0.349
15M
-143.821
150
Au
45
C
0.681
-1.248
15M
-144.626
«
1
2
3
4
5
6
7
8
9
10
...
21
22
23
24
»