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Ho9Er3(CoBi2)2

Alexandria ALEX

Alex-ID: agm016409337 · Space group: Pm (#6)

Basic Information

Formula
Ho9Er3(CoBi2)2
Alex-ID
agm016409337
Elements
4
Sites
18
Space group
Pm (#6)
Crystal system
monoclinic
Volume
492.66
ų
Cell a
8.3584
Å
Cell b
4.0684
Å
Cell c
14.4876
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho9Er3(CoBi2)2
Ho
9.00 · 50.0%
Er
3.00 · 16.7%
Co
2.00 · 11.1%
Bi
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0316
eV/atom
Formation energy
-0.4561
eV/atom
Corrected total energy
-92.8765
eV
Raw total energy
-92.8765
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
20.1168
Total magnetisation
0.0133
μB

Additional Information

Prototype ID

A2B3C4D9_2_spg6

Decomposition

Er5CoBi2 HoEr5 Ho5CoBi2

Computed at

2025-01-14 11:59:56

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: agm016409337).

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 agm016409337
data_agm016409337
_cell_length_a     8.35842
_cell_length_b     4.06842
_cell_length_c     14.48756
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00177
_cell_angle_gamma  90.00000
_cell_volume       492.65753
_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
  Ho1 Ho 0.29552 0.00000 0.29880 1.00000
  Ho2 Ho 0.31221 0.00000 0.69221 1.00000
  Ho3 Ho 0.79562 0.00000 0.20118 1.00000
  Ho4 Ho 0.76765 0.50000 0.00184 1.00000
  Ho5 Ho 0.26947 0.50000 0.49822 1.00000
  Ho6 Ho 0.62308 0.50000 0.61875 1.00000
  Ho7 Ho 0.10857 0.50000 0.11248 1.00000
  Ho8 Ho 0.12240 0.50000 0.88151 1.00000
  Ho9 Ho 0.60953 0.50000 0.38695 1.00000
  Er1 Er 0.89082 0.00000 0.49931 1.00000
  Er2 Er 0.39084 0.00000 0.00089 1.00000
  Er3 Er 0.81240 0.00000 0.80843 1.00000
  Co1 Co 0.99832 0.00000 0.98527 1.00000
  Co2 Co 0.50279 0.00000 0.51366 1.00000
  Bi1 Bi 0.00492 0.50000 0.66571 1.00000
  Bi2 Bi 0.49515 0.50000 0.16701 1.00000
  Bi3 Bi 0.50501 0.50000 0.83464 1.00000
  Bi4 Bi 0.99591 0.50000 0.33315 1.00000
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