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MATLAB-code
ASE database
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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 176-200 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Age
✕
Mass
✕
176
Au
45
Si
15M
8891.581
177
Au
45
P
15M
8894.469
178
Au
45
S
15M
8895.556
179
Au
45
Cl
15M
8898.946
180
Au
45
Ar
15M
8903.444
181
Au
45
H
15M
8864.504
182
Au
45
He
15M
8867.498
183
Au
45
Li
15M
8870.436
184
Au
45
Be
15M
8872.508
185
Au
45
B
15M
8874.306
186
Au
45
C
15M
8875.507
187
Au
45
N
15M
8877.503
188
Au
45
O
15M
8879.495
189
Au
45
F
15M
8882.494
190
Au
45
Ne
15M
8883.675
191
Au
45
Na
15M
8886.485
192
Au
45
Mg
15M
8887.801
193
AlAu
45
15M
8890.477
194
Au
45
Si
15M
8891.581
195
Au
45
P
15M
8894.469
196
Au
45
S
15M
8895.556
197
Au
45
Cl
15M
8898.946
198
Au
45
Ar
15M
8903.444
199
Ag
54
H
15M
5825.891
200
Ag
54
He
15M
5828.885
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