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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 251-17 out of 17
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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)
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
✕
Mass
✕
251
Ag
54
Cl
5860.333
252
Ag
54
Ar
5864.831
253
Ag
72
H
7767.518
254
Ag
72
He
7770.513
255
Ag
72
Li
7773.450
256
Ag
72
Be
7775.523
257
Ag
72
B
7777.320
258
Ag
72
C
7778.521
259
Ag
72
N
7780.517
260
Ag
72
O
7782.509
261
Ag
72
F
7785.509
262
Ag
72
Ne
7786.690
263
Ag
72
Na
7789.500
264
Ag
72
Mg
7790.815
265
Ag
72
Al
7793.492
266
Ag
72
Si
7794.595
267
Ag
72
P
7797.484
268
Ag
72
S
7798.570
269
Ag
72
Cl
7801.960
270
Ag
72
Ar
7806.458
271
Ag
72
H
7767.518
272
Ag
72
He
7770.513
273
Ag
72
Li
7773.450
274
Ag
72
Be
7775.523
275
Ag
72
B
7777.320
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