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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 251-275 out of 414
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
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
✕
Magnetic moment
✕
251
Ag
54
Cl
-0.000
252
Ag
54
Ar
0.000
253
Ag
72
H
0.000
254
Ag
72
He
-0.000
255
Ag
72
Li
-0.000
256
Ag
72
Be
0.000
257
Ag
72
B
0.000
258
Ag
72
C
0.000
259
Ag
72
N
-0.000
260
Ag
72
O
-0.000
261
Ag
72
F
0.000
262
Ag
72
Ne
0.000
263
Ag
72
Na
0.000
264
Ag
72
Mg
0.000
265
Ag
72
Al
0.000
266
Ag
72
Si
-0.000
267
Ag
72
P
0.000
268
Ag
72
S
-0.000
269
Ag
72
Cl
-0.000
270
Ag
72
Ar
0.000
271
Ag
72
H
-0.000
272
Ag
72
He
0.000
273
Ag
72
Li
0.000
274
Ag
72
Be
-0.000
275
Ag
72
B
0.000
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