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ErCd5Ag6

Alexandria ALEX

Alex-ID: agm003676089 · Space group: Cmmm (#65)

Basic Information

Formula
ErCd5Ag6
Alex-ID
agm003676089
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
240.13
ų
Cell a
8.5599
Å
Cell b
4.7828
Å
Cell c
7.4682
Å
α angle
71.32
°
β angle
79.68
°
γ angle
56.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
ErCd5Ag6
Er
1.00 · 8.3%
Cd
5.00 · 41.7%
Ag
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0278
eV/atom
Formation energy
-0.0981
eV/atom
Corrected total energy
-27.4658
eV
Raw total energy
-27.4658
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3195
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_47_spg65

Decomposition

CdAg ErCdAg2

Computed at

2022-04-09 19:58:17.853675

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676089).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003676089
data_agm003676089
_cell_length_a     8.55991
_cell_length_b     4.78282
_cell_length_c     7.46823
_cell_angle_alpha  71.32430
_cell_angle_beta   79.68433
_cell_angle_gamma  55.99754
_cell_volume       240.12751
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.50000 0.16269 0.67462 1.00000
  Cd2 Cd 0.00000 0.33421 0.33158 1.00000
  Cd3 Cd 0.50000 0.50000 0.00000 1.00000
  Cd4 Cd 1.00000 0.66579 0.66842 1.00000
  Cd5 Cd 0.50000 0.83731 0.32538 1.00000
  Ag1 Ag 0.74379 0.08608 0.34086 1.00000
  Ag2 Ag 0.25621 0.57306 0.34086 1.00000
  Ag3 Ag 0.25480 0.24472 0.00000 1.00000
  Ag4 Ag 0.74520 0.75528 1.00000 1.00000
  Ag5 Ag 0.74379 0.42694 0.65914 1.00000
  Ag6 Ag 0.25621 0.91392 0.65914 1.00000
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