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EuAlCo2

Alexandria ALEX

Alex-ID: agm002250806 · Space group: P6_3/mmc (#194)

Basic Information

Formula
EuAlCo2
Alex-ID
agm002250806
Elements
3
Sites
8
Space group
P6_3/mmc (#194)
Crystal system
hexagonal
Volume
155.81
ų
Cell a
4.1971
Å
Cell b
4.1971
Å
Cell c
10.2132
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuAlCo2
Eu
2.00 · 25.0%
Co
4.00 · 50.0%
Al
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1338
eV/atom
Formation energy
-0.1631
eV/atom
Corrected total energy
-57.8399
eV
Raw total energy
-57.8399
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0099
eV
DOS at Fermi level
11.0165
Total magnetisation
9.5436
μB

Additional Information

Prototype ID

ABC2_76_spg194

Decomposition

AlCo Eu Co

Computed at

2018-12-28 22:18:58

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: agm002250806).

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 agm002250806
data_agm002250806
_cell_length_a     4.19710
_cell_length_b     4.19710
_cell_length_c     10.21318
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       155.80810
_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
  Eu1 Eu 0.33333 0.66667 0.25000 1.00000
  Eu2 Eu 0.66667 0.33333 0.75000 1.00000
  Co1 Co 0.33333 0.66667 0.97856 1.00000
  Co2 Co 0.66667 0.33333 0.02144 1.00000
  Co3 Co 0.66667 0.33333 0.47856 1.00000
  Co4 Co 0.33333 0.66667 0.52144 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Al2 Al 0.00000 0.00000 0.50000 1.00000
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