Ho3Rh2
Alexandria ALEXAlex-ID: agm005259593 · Space group: I4/mcm (#140)
Basic Information
Formula
Ho3Rh2
Alex-ID
agm005259593
Elements
2
Sites
70
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
1,572.21
ų
Cell a
14.8498
Å
Cell b
14.8498
Å
Cell c
14.8498
Å
α angle
135.76
°
β angle
135.76
°
γ angle
64.36
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ho3Rh2
Ho
42.00 · 60.0%
Rh
28.00 · 40.0%
Energy & Stability
Energy above hull
0.0021
eV/atom
Formation energy
-0.7943
eV/atom
Corrected total energy
-453.7402
eV
Raw total energy
-453.7402
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
40.3425
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A2B3_240_spg140
Decomposition
Ho5Rh3 HoRh
Computed at
2023-04-19 22:31:32.950960
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: agm005259593).
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 agm005259593
data_agm005259593
_cell_length_a 14.84976
_cell_length_b 14.84976
_cell_length_c 14.84976
_cell_angle_alpha 135.75552
_cell_angle_beta 135.75552
_cell_angle_gamma 64.35853
_cell_volume 1572.20801
_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 0.63257 0.50367 0.27909 1.00000
Ho2 Ho 0.22458 0.35347 0.72091 1.00000
Ho3 Ho 0.13257 0.85347 0.12889 1.00000
Ho4 Ho 0.72458 0.00367 0.87111 1.00000
Ho5 Ho 0.35347 0.63257 0.12889 1.00000
Ho6 Ho 0.50367 0.22458 0.87111 1.00000
Ho7 Ho 0.00367 0.13257 0.27909 1.00000
Ho8 Ho 0.85347 0.72458 0.72091 1.00000
Ho9 Ho 0.36743 0.49633 0.72091 1.00000
Ho10 Ho 0.77542 0.64653 0.27909 1.00000
Ho11 Ho 0.86743 0.14653 0.87111 1.00000
Ho12 Ho 0.27542 0.99633 0.12889 1.00000
Ho13 Ho 0.64653 0.36743 0.87111 1.00000
Ho14 Ho 0.49633 0.77542 0.12889 1.00000
Ho15 Ho 0.99633 0.86743 0.72091 1.00000
Ho16 Ho 0.14653 0.27542 0.27909 1.00000
Ho17 Ho 0.38577 0.51711 0.28976 1.00000
Ho18 Ho 0.22735 0.09601 0.71024 1.00000
Ho19 Ho 0.88577 0.59601 0.86866 1.00000
Ho20 Ho 0.72735 0.01711 0.13134 1.00000
Ho21 Ho 0.09601 0.38577 0.86866 1.00000
Ho22 Ho 0.51711 0.22735 0.13134 1.00000
Ho23 Ho 0.01711 0.88577 0.28976 1.00000
Ho24 Ho 0.59601 0.72735 0.71024 1.00000
Ho25 Ho 0.61423 0.48289 0.71024 1.00000
Ho26 Ho 0.77265 0.90399 0.28976 1.00000
Ho27 Ho 0.11423 0.40399 0.13134 1.00000
Ho28 Ho 0.27265 0.98289 0.86866 1.00000
Ho29 Ho 0.90399 0.61423 0.13134 1.00000
Ho30 Ho 0.48289 0.77265 0.86866 1.00000
Ho31 Ho 0.98289 0.11423 0.71024 1.00000
Ho32 Ho 0.40399 0.27265 0.28976 1.00000
Ho33 Ho 0.84982 0.34982 0.19964 1.00000
Ho34 Ho 0.15018 0.65018 0.80036 1.00000
Ho35 Ho 0.34982 0.15018 0.50000 1.00000
Ho36 Ho 0.65018 0.84982 0.50000 1.00000
Ho37 Ho 0.38733 0.88733 0.50000 1.00000
Ho38 Ho 0.88733 0.38733 0.50000 1.00000
Ho39 Ho 0.61267 0.11267 0.50000 1.00000
Ho40 Ho 0.11267 0.61267 0.50000 1.00000
Ho41 Ho 0.25000 0.75000 0.50000 1.00000
Ho42 Ho 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.71424 0.21424 0.14171 1.00000
Rh2 Rh 0.07253 0.57253 0.85829 1.00000
Rh3 Rh 0.21424 0.07253 0.50000 1.00000
Rh4 Rh 0.57253 0.71424 0.50000 1.00000
Rh5 Rh 0.28576 0.78576 0.85829 1.00000
Rh6 Rh 0.92747 0.42747 0.14171 1.00000
Rh7 Rh 0.78576 0.92747 0.50000 1.00000
Rh8 Rh 0.42747 0.28576 0.50000 1.00000
Rh9 Rh 0.46481 0.96481 0.80645 1.00000
Rh10 Rh 0.15836 0.65836 0.19355 1.00000
Rh11 Rh 0.96481 0.15836 0.50000 1.00000
Rh12 Rh 0.65836 0.46481 0.50000 1.00000
Rh13 Rh 0.53519 0.03519 0.19355 1.00000
Rh14 Rh 0.84164 0.34164 0.80645 1.00000
Rh15 Rh 0.03519 0.84164 0.50000 1.00000
Rh16 Rh 0.34164 0.53519 0.50000 1.00000
Rh17 Rh 0.59795 0.09795 0.69589 1.00000
Rh18 Rh 0.40205 0.90205 0.30411 1.00000
Rh19 Rh 0.09795 0.40205 0.50000 1.00000
Rh20 Rh 0.90205 0.59795 0.50000 1.00000
Rh21 Rh 0.36733 0.36733 0.00000 1.00000
Rh22 Rh 0.86733 0.86733 0.00000 1.00000
Rh23 Rh 0.63267 0.63267 0.00000 1.00000
Rh24 Rh 0.13267 0.13267 0.00000 1.00000
Rh25 Rh 0.50000 0.50000 0.00000 1.00000
Rh26 Rh 0.00000 0.00000 0.00000 1.00000
Rh27 Rh 0.25000 0.25000 0.00000 1.00000
Rh28 Rh 0.75000 0.75000 0.00000 1.00000
