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Ho18Fe(CoBi3)2

Alexandria ALEX

Alex-ID: agm020565320 · Space group: Amm2 (#38)

Basic Information

Formula
Ho18Fe(CoBi3)2
Alex-ID
agm020565320
Elements
4
Sites
27
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
742.18
ų
Cell a
22.0758
Å
Cell b
22.0758
Å
Cell c
4.1143
Å
α angle
90.00
°
β angle
90.00
°
γ angle
158.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho18Fe(CoBi3)2
Ho
18.00 · 66.7%
Fe
1.00 · 3.7%
Co
2.00 · 7.4%
Bi
6.00 · 22.2%

Energy & Stability

Energy above hull
0.0230
eV/atom
Formation energy
-0.4452
eV/atom
Corrected total energy
-140.4287
eV
Raw total energy
-140.4287
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0057
eV
DOS at Fermi level
25.0454
Total magnetisation
0.1344
μB

Additional Information

Prototype ID

AB2C6D18_18_spg38

Decomposition

Ho5CoBi2 Ho5FeBi2 Ho

Computed at

2025-01-30 06:53:41

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: agm020565320).

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 agm020565320
data_agm020565320
_cell_length_a     22.07581
_cell_length_b     22.07581
_cell_length_c     4.11428
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  158.27503
_cell_volume       742.17602
_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 0.77735 0.77735 0.00000 1.00000
  Ho2 Ho 0.43193 0.09772 0.00000 1.00000
  Ho3 Ho 0.09772 0.43193 0.00000 1.00000
  Ho4 Ho 0.74600 0.49039 0.00000 1.00000
  Ho5 Ho 0.40220 0.81108 0.00000 1.00000
  Ho6 Ho 0.08385 0.16122 0.00000 1.00000
  Ho7 Ho 0.16122 0.08385 0.00000 1.00000
  Ho8 Ho 0.81108 0.40220 0.00000 1.00000
  Ho9 Ho 0.49039 0.74600 0.00000 1.00000
  Ho10 Ho 0.39735 0.39735 0.50000 1.00000
  Ho11 Ho 0.05549 0.72206 0.50000 1.00000
  Ho12 Ho 0.72206 0.05549 0.50000 1.00000
  Ho13 Ho 0.87518 0.74553 0.50000 1.00000
  Ho14 Ho 0.52625 0.05920 0.50000 1.00000
  Ho15 Ho 0.20698 0.41114 0.50000 1.00000
  Ho16 Ho 0.41114 0.20698 0.50000 1.00000
  Ho17 Ho 0.05920 0.52625 0.50000 1.00000
  Ho18 Ho 0.74553 0.87518 0.50000 1.00000
  Fe1 Fe 0.01036 0.01036 0.50000 1.00000
  Co1 Co 0.65761 0.33257 0.50000 1.00000
  Co2 Co 0.33257 0.65761 0.50000 1.00000
  Bi1 Bi 0.11300 0.89081 0.00000 1.00000
  Bi2 Bi 0.77009 0.21503 0.00000 1.00000
  Bi3 Bi 0.45074 0.56170 0.00000 1.00000
  Bi4 Bi 0.56170 0.45074 0.00000 1.00000
  Bi5 Bi 0.21503 0.77009 0.00000 1.00000
  Bi6 Bi 0.89081 0.11300 0.00000 1.00000
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