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Ho4ErCo

Alexandria ALEX

Alex-ID: agm005882853 · Space group: C2/m (#12)

Basic Information

Formula
Ho4ErCo
Alex-ID
agm005882853
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
161.22
ų
Cell a
6.1804
Å
Cell b
3.5372
Å
Cell c
8.4651
Å
α angle
77.93
°
β angle
106.53
°
γ angle
73.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4ErCo
Ho
4.00 · 66.7%
Er
1.00 · 16.7%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0799
eV/atom
Formation energy
-0.0365
eV/atom
Corrected total energy
-30.2199
eV
Raw total energy
-30.2199
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0423
eV
DOS at Fermi level
8.0374
Total magnetisation
0.0033
μB

Additional Information

Prototype ID

ABC4_1592_spg12

Decomposition

HoEr2Co Ho3Co Ho

Computed at

2023-08-05 00:21:59.667710

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: agm005882853).

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 agm005882853
data_agm005882853
_cell_length_a     6.18040
_cell_length_b     3.53721
_cell_length_c     8.46506
_cell_angle_alpha  77.93021
_cell_angle_beta   106.53189
_cell_angle_gamma  73.33968
_cell_volume       161.22336
_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 0.54431 0.12562 0.20592 1.00000
  Ho2 Ho 0.12432 0.24929 0.37712 1.00000
  Ho3 Ho 0.87568 0.75071 0.62288 1.00000
  Ho4 Ho 0.45569 0.87438 0.79408 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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