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Er2Al13Co6

Alexandria ALEX

Alex-ID: agm007934278 · Space group: C2/m (#12)

Basic Information

Formula
Er2Al13Co6
Alex-ID
agm007934278
Elements
3
Sites
21
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
312.79
ų
Cell a
7.7179
Å
Cell b
7.7179
Å
Cell c
12.0666
Å
α angle
62.66
°
β angle
62.66
°
γ angle
29.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2Al13Co6
Er
2.00 · 9.5%
Al
13.00 · 61.9%
Co
6.00 · 28.6%

Energy & Stability

Energy above hull
0.0657
eV/atom
Formation energy
-0.4889
eV/atom
Corrected total energy
-110.8272
eV
Raw total energy
-110.8272
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.0836
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B6C13_3_spg12

Decomposition

Er2(Al3Co)3 Al5Co2 AlCo

Computed at

2024-04-21 06:17:30.475584

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: agm007934278).

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 agm007934278
data_agm007934278
_cell_length_a     7.71789
_cell_length_b     7.71789
_cell_length_c     12.06660
_cell_angle_alpha  62.66351
_cell_angle_beta   62.66351
_cell_angle_gamma  29.63953
_cell_volume       312.79279
_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 0.82299 0.82299 0.77051 1.00000
  Er2 Er 0.17701 0.17701 0.22949 1.00000
  Al1 Al 0.80592 0.80592 0.03480 1.00000
  Al2 Al 0.00513 0.00513 0.82394 1.00000
  Al3 Al 0.70205 0.70205 0.62435 1.00000
  Al4 Al 0.50084 0.50084 0.32827 1.00000
  Al5 Al 0.34453 0.34453 0.56720 1.00000
  Al6 Al 0.19408 0.19408 0.96520 1.00000
  Al7 Al 0.40844 0.40844 0.10318 1.00000
  Al8 Al 0.99487 0.99487 0.17606 1.00000
  Al9 Al 0.00000 0.00000 0.50000 1.00000
  Al10 Al 0.65547 0.65547 0.43280 1.00000
  Al11 Al 0.29795 0.29795 0.37565 1.00000
  Al12 Al 0.59156 0.59156 0.89682 1.00000
  Al13 Al 0.49916 0.49916 0.67173 1.00000
  Co1 Co 0.81734 0.81734 0.23745 1.00000
  Co2 Co 0.18266 0.18266 0.76255 1.00000
  Co3 Co 0.11602 0.11602 0.58025 1.00000
  Co4 Co 0.39264 0.39264 0.90711 1.00000
  Co5 Co 0.60736 0.60736 0.09289 1.00000
  Co6 Co 0.88398 0.88398 0.41975 1.00000
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