Ho8P14Rh17
Alexandria ALEXAlex-ID: agm017162534 · Space group: I4cm (#108)
Basic Information
Formula
Ho8P14Rh17
Alex-ID
agm017162534
Elements
3
Sites
78
Space group
I4cm (#108)
Crystal system
tetragonal
Volume
1,243.79
ų
Cell a
12.5586
Å
Cell b
12.5586
Å
Cell c
12.5586
Å
α angle
126.29
°
β angle
126.29
°
γ angle
79.41
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ho8P14Rh17
Ho
16.00 · 20.5%
P
28.00 · 35.9%
Rh
34.00 · 43.6%
Energy & Stability
Energy above hull
0.0239
eV/atom
Formation energy
-1.1126
eV/atom
Corrected total energy
-561.4684
eV
Raw total energy
-561.4684
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
36.6643
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A8B14C17_0_spg108
Decomposition
P2Rh HoP Ho10P19Rh28
Computed at
2025-02-10 18:39:30.412982
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: agm017162534).
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 agm017162534
data_agm017162534
_cell_length_a 12.55863
_cell_length_b 12.55863
_cell_length_c 12.55863
_cell_angle_alpha 126.29211
_cell_angle_beta 126.29211
_cell_angle_gamma 79.40856
_cell_volume 1243.78754
_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 0.95314 0.89511 0.50000 1.00000
Ho2 Ho 0.39511 0.45314 0.50000 1.00000
Ho3 Ho 0.89511 0.39511 0.94197 1.00000
Ho4 Ho 0.45314 0.95314 0.05803 1.00000
Ho5 Ho 0.16938 0.16938 0.00000 1.00000
Ho6 Ho 0.66938 0.66938 0.00000 1.00000
Ho7 Ho 0.67701 0.17701 0.50000 1.00000
Ho8 Ho 0.17701 0.67701 0.50000 1.00000
Ho9 Ho 0.41578 0.67368 0.23510 1.00000
Ho10 Ho 0.43857 0.18067 0.76490 1.00000
Ho11 Ho 0.67368 0.43857 0.25790 1.00000
Ho12 Ho 0.91578 0.68067 0.74210 1.00000
Ho13 Ho 0.18067 0.41578 0.74210 1.00000
Ho14 Ho 0.93857 0.17368 0.25790 1.00000
Ho15 Ho 0.17368 0.91578 0.23510 1.00000
Ho16 Ho 0.68067 0.93857 0.76490 1.00000
P1 P 0.98452 0.21523 0.73700 1.00000
P2 P 0.47823 0.24752 0.26300 1.00000
P3 P 0.21523 0.47823 0.23071 1.00000
P4 P 0.48452 0.74752 0.76929 1.00000
P5 P 0.24752 0.98452 0.76929 1.00000
P6 P 0.97823 0.71523 0.23071 1.00000
P7 P 0.71523 0.48452 0.73700 1.00000
P8 P 0.74752 0.97823 0.26300 1.00000
P9 P 0.89348 0.16194 0.94366 1.00000
P10 P 0.21828 0.94983 0.05634 1.00000
P11 P 0.16194 0.21828 0.26846 1.00000
P12 P 0.39348 0.44983 0.73154 1.00000
P13 P 0.94983 0.89348 0.73154 1.00000
P14 P 0.71828 0.66194 0.26846 1.00000
P15 P 0.66194 0.39348 0.94366 1.00000
P16 P 0.44983 0.71828 0.05634 1.00000
P17 P 0.37732 0.37732 0.00000 1.00000
P18 P 0.87732 0.87732 0.00000 1.00000
P19 P 0.44614 0.11155 0.50000 1.00000
P20 P 0.61155 0.94614 0.50000 1.00000
P21 P 0.11155 0.61155 0.66541 1.00000
P22 P 0.94614 0.44614 0.33459 1.00000
P23 P 0.87515 0.37515 0.50000 1.00000
P24 P 0.37515 0.87515 0.50000 1.00000
P25 P 0.13507 0.11438 0.50000 1.00000
P26 P 0.61438 0.63507 0.50000 1.00000
P27 P 0.11438 0.61438 0.97932 1.00000
P28 P 0.63507 0.13507 0.02068 1.00000
Rh1 Rh 0.06170 0.37389 0.20737 1.00000
Rh2 Rh 0.16652 0.85433 0.79263 1.00000
Rh3 Rh 0.37389 0.16652 0.31219 1.00000
Rh4 Rh 0.56170 0.35433 0.68781 1.00000
Rh5 Rh 0.85433 0.06170 0.68781 1.00000
Rh6 Rh 0.66652 0.87389 0.31219 1.00000
Rh7 Rh 0.87389 0.56170 0.20737 1.00000
Rh8 Rh 0.35433 0.66652 0.79263 1.00000
Rh9 Rh 0.18389 0.91924 0.50000 1.00000
Rh10 Rh 0.41924 0.68389 0.50000 1.00000
Rh11 Rh 0.91924 0.41924 0.73535 1.00000
Rh12 Rh 0.68389 0.18389 0.26465 1.00000
Rh13 Rh 0.92304 0.65995 0.50000 1.00000
Rh14 Rh 0.15995 0.42304 0.50000 1.00000
Rh15 Rh 0.65995 0.15995 0.73692 1.00000
Rh16 Rh 0.42304 0.92304 0.26308 1.00000
Rh17 Rh 0.27359 0.21530 0.50000 1.00000
Rh18 Rh 0.71530 0.77359 0.50000 1.00000
Rh19 Rh 0.21530 0.71530 0.94170 1.00000
Rh20 Rh 0.77359 0.27359 0.05830 1.00000
Rh21 Rh 0.16816 0.41748 0.98431 1.00000
Rh22 Rh 0.43317 0.18385 0.01569 1.00000
Rh23 Rh 0.41748 0.43317 0.24932 1.00000
Rh24 Rh 0.66816 0.68385 0.75068 1.00000
Rh25 Rh 0.18385 0.16816 0.75068 1.00000
Rh26 Rh 0.93317 0.91748 0.24932 1.00000
Rh27 Rh 0.91748 0.66816 0.98431 1.00000
Rh28 Rh 0.68385 0.93317 0.01569 1.00000
Rh29 Rh 0.67069 0.43689 0.50000 1.00000
Rh30 Rh 0.93689 0.17069 0.50000 1.00000
Rh31 Rh 0.43689 0.93689 0.76621 1.00000
Rh32 Rh 0.17069 0.67069 0.23379 1.00000
Rh33 Rh 0.00519 0.00519 0.00000 1.00000
Rh34 Rh 0.50519 0.50519 0.00000 1.00000
