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Ho7AgRh4

Alexandria ALEX

Alex-ID: agm003666839 · Space group: C2/m (#12)

Basic Information

Formula
Ho7AgRh4
Alex-ID
agm003666839
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
284.44
ų
Cell a
5.3566
Å
Cell b
8.3601
Å
Cell c
7.2972
Å
α angle
75.24
°
β angle
68.47
°
γ angle
71.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7AgRh4
Ho
7.00 · 58.3%
Ag
1.00 · 8.3%
Rh
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2251
eV/atom
Formation energy
-0.4975
eV/atom
Corrected total energy
-70.2762
eV
Raw total energy
-70.2762
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0074
eV
DOS at Fermi level
7.2814
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_87_spg12

Decomposition

Ho2AgRh Ho5Rh3

Computed at

2022-04-20 13:45:06.953711

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: agm003666839).

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 agm003666839
data_agm003666839
_cell_length_a     5.35656
_cell_length_b     8.36009
_cell_length_c     7.29725
_cell_angle_alpha  75.23555
_cell_angle_beta   68.46767
_cell_angle_gamma  71.31500
_cell_volume       284.43852
_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 0.78852 0.87792 0.54505 1.00000
  Ho2 Ho 0.21148 0.12208 0.45495 1.00000
  Ho3 Ho 0.07462 0.63666 0.21410 1.00000
  Ho4 Ho 0.92538 0.36334 0.78590 1.00000
  Ho5 Ho 0.32258 0.62685 0.72799 1.00000
  Ho6 Ho 0.50000 0.00000 0.00000 1.00000
  Ho7 Ho 0.67742 0.37315 0.27201 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.56711 0.22076 0.64502 1.00000
  Rh2 Rh 0.43289 0.77924 0.35498 1.00000
  Rh3 Rh 0.70470 0.65478 0.93582 1.00000
  Rh4 Rh 0.29530 0.34522 0.06418 1.00000
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