Navigation

HEAS Data Platform · Materials Science Database

Er6AlCo8

Alexandria ALEX

Alex-ID: agm072188971 · Space group: P-1 (#2)

Basic Information

Formula
Er6AlCo8
Alex-ID
agm072188971
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
269.32
ų
Cell a
5.3233
Å
Cell b
6.9856
Å
Cell c
7.7499
Å
α angle
71.15
°
β angle
98.44
°
γ angle
89.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er6AlCo8
Er
6.00 · 40.0%
Al
1.00 · 6.7%
Co
8.00 · 53.3%

Energy & Stability

Energy above hull
0.0733
eV/atom
Formation energy
-0.2235
eV/atom
Corrected total energy
-91.4660
eV
Raw total energy
-91.4660
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
15.8849
Total magnetisation
3.5017
μB

Additional Information

Prototype ID

AB6C8_78_spg147

Decomposition

Er3Co4 Er3AlCo3 ErCo2

Computed at

2024-10-05 06:42:34.258172

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: agm072188971).

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 agm072188971
data_agm072188971
_cell_length_a     5.32330
_cell_length_b     6.98563
_cell_length_c     7.74990
_cell_angle_alpha  71.14921
_cell_angle_beta   98.43737
_cell_angle_gamma  89.56746
_cell_volume       269.31736
_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 0.78549 0.55380 0.10611 1.00000
  Er2 Er 0.54944 0.03889 0.23045 1.00000
  Er3 Er 0.90287 0.24535 0.55810 1.00000
  Er4 Er 0.21451 0.44620 0.89389 1.00000
  Er5 Er 0.45056 0.96111 0.76955 1.00000
  Er6 Er 0.09713 0.75465 0.44190 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.04121 0.17596 0.22092 1.00000
  Co2 Co 0.95879 0.82404 0.77908 1.00000
  Co3 Co 0.70783 0.29023 0.89303 1.00000
  Co4 Co 0.58450 0.62468 0.38428 1.00000
  Co5 Co 0.31040 0.37867 0.31841 1.00000
  Co6 Co 0.29217 0.70977 0.10697 1.00000
  Co7 Co 0.41550 0.37532 0.61572 1.00000
  Co8 Co 0.68960 0.62133 0.68159 1.00000
Get direct link