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Er4Co2Ag

Alexandria ALEX

Alex-ID: agm096462292 · Space group: P2/m (#10)

Basic Information

Formula
Er4Co2Ag
Alex-ID
agm096462292
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
169.58
ų
Cell a
5.7521
Å
Cell b
4.0271
Å
Cell c
7.3240
Å
α angle
90.00
°
β angle
88.32
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4Co2Ag
Er
4.00 · 57.1%
Co
2.00 · 28.6%
Ag
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1680
eV/atom
Formation energy
-0.0901
eV/atom
Corrected total energy
-35.9808
eV
Raw total energy
-35.9808
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6414
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_111_spg111

Decomposition

Er5Co2Ag ErCo ErAg

Computed at

2025-04-10 16:09:39

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: agm096462292).

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 agm096462292
data_agm096462292
_cell_length_a     5.75213
_cell_length_b     4.02712
_cell_length_c     7.32395
_cell_angle_alpha  90.00000
_cell_angle_beta   88.32232
_cell_angle_gamma  90.00000
_cell_volume       169.58341
_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 0.79475 0.50000 0.18588 1.00000
  Er2 Er 0.76425 0.00000 0.65024 1.00000
  Er3 Er 0.23575 0.00000 0.34976 1.00000
  Er4 Er 0.20525 0.50000 0.81412 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.50000 0.50000 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
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