Ho5(Mg2Rh)2

Alexandria ALEX

Alex-ID: agm012963079 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula

Ho5(Mg2Rh)2

Alex-ID

agm012963079

Elements

Sites

Space group

Pbam (#55)

Crystal system

orthorhombic

Volume

532.80

Å³

Cell a

3.6820

Cell b

8.0470

Cell c

17.9823

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho5(Mg2Rh)2

10.00 · 45.5%

8.00 · 36.4%

4.00 · 18.2%

Energy & Stability

Energy above hull

0.0001

eV/atom

Formation energy

-0.4194

eV/atom

Corrected total energy

-97.1747

Raw total energy

-97.1747

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

17.0803

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B4C5_112_spg55

Decomposition

HoMg3 Ho9Mg5Rh4

Computed at

2025-03-29 13:47:04

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: agm012963079).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm012963079
data_agm012963079
_cell_length_a     3.68197
_cell_length_b     8.04700
_cell_length_c     17.98234
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       532.79506
_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 0.50000 0.00000 0.00000 1.00000
  Ho2 Ho 0.50000 0.50000 0.50000 1.00000
  Ho3 Ho 0.50000 0.75258 0.21943 1.00000
  Ho4 Ho 0.50000 0.24742 0.78057 1.00000
  Ho5 Ho 0.50000 0.25258 0.28057 1.00000
  Ho6 Ho 0.50000 0.74742 0.71943 1.00000
  Ho7 Ho 0.50000 0.88371 0.41031 1.00000
  Ho8 Ho 0.50000 0.11629 0.58969 1.00000
  Ho9 Ho 0.50000 0.38371 0.08969 1.00000
  Ho10 Ho 0.50000 0.61629 0.91031 1.00000
  Mg1 Mg 0.00000 0.79511 0.56576 1.00000
  Mg2 Mg 0.00000 0.20489 0.43424 1.00000
  Mg3 Mg 0.00000 0.29511 0.93424 1.00000
  Mg4 Mg 0.00000 0.70489 0.06576 1.00000
  Mg5 Mg 0.00000 0.92773 0.84946 1.00000
  Mg6 Mg 0.00000 0.07227 0.15054 1.00000
  Mg7 Mg 0.00000 0.42773 0.65054 1.00000
  Mg8 Mg 0.00000 0.57227 0.34946 1.00000
  Rh1 Rh 0.00000 0.97200 0.30230 1.00000
  Rh2 Rh 0.00000 0.02800 0.69770 1.00000
  Rh3 Rh 0.00000 0.47200 0.19770 1.00000
  Rh4 Rh 0.00000 0.52800 0.80230 1.00000

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