Navigation

HEAS Data Platform · Materials Science Database

Ho8Rh5C12

Alexandria ALEX

Alex-ID: agm005222182 · Space group: C2/m (#12)

Basic Information

Formula
Ho8Rh5C12
Alex-ID
agm005222182
Elements
3
Sites
25
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
363.66
ų
Cell a
3.5215
Å
Cell b
7.3992
Å
Cell c
14.0987
Å
α angle
93.82
°
β angle
97.17
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Rh5C12
Ho
8.00 · 32.0%
Rh
5.00 · 20.0%
C
12.00 · 48.0%

Energy & Stability

Energy above hull
0.0566
eV/atom
Formation energy
-0.3996
eV/atom
Corrected total energy
-194.0608
eV
Raw total energy
-194.0608
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6232
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B8C12_1_spg12

Decomposition

Ho4C7 HoRh C

Computed at

2024-10-20 12:22:26

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: agm005222182).

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 agm005222182
data_agm005222182
_cell_length_a     3.52145
_cell_length_b     7.39923
_cell_length_c     14.09867
_cell_angle_alpha  93.82201
_cell_angle_beta   97.17417
_cell_angle_gamma  90.00000
_cell_volume       363.65550
_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 0.29299 0.88286 0.58597 1.00000
  Ho2 Ho 0.70701 0.11714 0.41403 1.00000
  Ho3 Ho 0.29994 0.39040 0.59989 1.00000
  Ho4 Ho 0.70006 0.60960 0.40011 1.00000
  Ho5 Ho 0.41160 0.17466 0.82319 1.00000
  Ho6 Ho 0.58840 0.82534 0.17681 1.00000
  Ho7 Ho 0.45340 0.70686 0.90680 1.00000
  Ho8 Ho 0.54660 0.29314 0.09320 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.10980 0.49051 0.21960 1.00000
  Rh3 Rh 0.89020 0.50949 0.78040 1.00000
  Rh4 Rh 0.11685 0.12536 0.23370 1.00000
  Rh5 Rh 0.88315 0.87464 0.76630 1.00000
  C1 C 0.02291 0.75408 0.04582 1.00000
  C2 C 0.97709 0.24592 0.95418 1.00000
  C3 C 0.04811 0.61268 0.09621 1.00000
  C4 C 0.95189 0.38732 0.90379 1.00000
  C5 C 0.16836 0.34602 0.33672 1.00000
  C6 C 0.83164 0.65398 0.66328 1.00000
  C7 C 0.21634 0.36622 0.43268 1.00000
  C8 C 0.78366 0.63378 0.56732 1.00000
  C9 C 0.15889 0.87723 0.31779 1.00000
  C10 C 0.84111 0.12277 0.68221 1.00000
  C11 C 0.20718 0.86942 0.41436 1.00000
  C12 C 0.79282 0.13058 0.58564 1.00000
Get direct link