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Er4CoAu

Alexandria ALEX

Alex-ID: agm005808292 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Er4CoAu
Alex-ID
agm005808292
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
297.94
ų
Cell a
6.0053
Å
Cell b
7.8599
Å
Cell c
7.8599
Å
α angle
112.57
°
β angle
105.90
°
γ angle
105.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4CoAu
Er
8.00 · 66.7%
Co
2.00 · 16.7%
Au
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0537
eV/atom
Formation energy
-0.3848
eV/atom
Corrected total energy
-61.9230
eV
Raw total energy
-61.9230
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0211
eV
DOS at Fermi level
13.3691
Total magnetisation
-0.0005
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Er5Co2Au Er2Au Er5Co2

Computed at

2023-07-28 01:18:24.261979

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: agm005808292).

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 agm005808292
data_agm005808292
_cell_length_a     6.00534
_cell_length_b     7.85990
_cell_length_c     7.85990
_cell_angle_alpha  112.56598
_cell_angle_beta   105.90388
_cell_angle_gamma  105.90388
_cell_volume       297.93919
_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 0.80420 0.65252 0.78224 1.00000
  Er2 Er 0.08667 0.94120 0.29356 1.00000
  Er3 Er 0.69580 0.21776 0.34748 1.00000
  Er4 Er 0.41333 0.70644 0.05880 1.00000
  Er5 Er 0.58667 0.29356 0.94120 1.00000
  Er6 Er 0.30420 0.78224 0.65252 1.00000
  Er7 Er 0.91333 0.05880 0.70644 1.00000
  Er8 Er 0.19580 0.34748 0.21776 1.00000
  Co1 Co 0.25000 0.99957 0.00043 1.00000
  Co2 Co 0.75000 0.00043 0.99957 1.00000
  Au1 Au 0.75000 0.63140 0.36860 1.00000
  Au2 Au 0.25000 0.36860 0.63140 1.00000
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