Ce4Ge9Rh13
Alexandria ALEXAlex-ID: agm005222719 · Space group: Pmmn (#59)
Basic Information
Formula
Ce4Ge9Rh13
Alex-ID
agm005222719
Elements
3
Sites
52
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
886.03
ų
Cell a
3.9706
Å
Cell b
11.3592
Å
Cell c
19.6446
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ce4Ge9Rh13
Ce
8.00 · 15.4%
Ge
18.00 · 34.6%
Rh
26.00 · 50.0%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.8359
eV/atom
Corrected total energy
-365.1901
eV
Raw total energy
-365.1901
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
38.9888
Total magnetisation
2.3880
μB
Additional Information
Prototype ID
A4B9C13_0_spg59
Decomposition
Ce4Ge9Rh13
Computed at
2022-12-16 08:29:13.271526
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: agm005222719).
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 agm005222719
data_agm005222719
_cell_length_a 3.97061
_cell_length_b 11.35925
_cell_length_c 19.64460
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 886.03310
_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
Ce1 Ce 0.25000 0.56048 0.70771 1.00000
Ce2 Ce 0.75000 0.43952 0.29229 1.00000
Ce3 Ce 0.75000 0.06048 0.29229 1.00000
Ce4 Ce 0.25000 0.93952 0.70771 1.00000
Ce5 Ce 0.25000 0.75000 0.52097 1.00000
Ce6 Ce 0.75000 0.25000 0.47903 1.00000
Ce7 Ce 0.25000 0.25000 0.02011 1.00000
Ce8 Ce 0.75000 0.75000 0.97989 1.00000
Ge1 Ge 0.25000 0.25000 0.60175 1.00000
Ge2 Ge 0.75000 0.75000 0.39825 1.00000
Ge3 Ge 0.25000 0.06150 0.41924 1.00000
Ge4 Ge 0.75000 0.93850 0.58076 1.00000
Ge5 Ge 0.75000 0.56150 0.58076 1.00000
Ge6 Ge 0.25000 0.43850 0.41924 1.00000
Ge7 Ge 0.25000 0.56695 0.91526 1.00000
Ge8 Ge 0.75000 0.43305 0.08474 1.00000
Ge9 Ge 0.75000 0.06695 0.08474 1.00000
Ge10 Ge 0.25000 0.93305 0.91526 1.00000
Ge11 Ge 0.25000 0.62351 0.22981 1.00000
Ge12 Ge 0.75000 0.37649 0.77019 1.00000
Ge13 Ge 0.75000 0.12351 0.77019 1.00000
Ge14 Ge 0.25000 0.87649 0.22981 1.00000
Ge15 Ge 0.25000 0.75000 0.10278 1.00000
Ge16 Ge 0.75000 0.25000 0.89722 1.00000
Ge17 Ge 0.25000 0.25000 0.23104 1.00000
Ge18 Ge 0.75000 0.75000 0.76896 1.00000
Rh1 Rh 0.25000 0.44940 0.54621 1.00000
Rh2 Rh 0.75000 0.55060 0.45379 1.00000
Rh3 Rh 0.75000 0.94940 0.45379 1.00000
Rh4 Rh 0.25000 0.05060 0.54621 1.00000
Rh5 Rh 0.25000 0.43515 0.16490 1.00000
Rh6 Rh 0.75000 0.56485 0.83510 1.00000
Rh7 Rh 0.75000 0.93515 0.83510 1.00000
Rh8 Rh 0.25000 0.06485 0.16490 1.00000
Rh9 Rh 0.25000 0.37663 0.85458 1.00000
Rh10 Rh 0.75000 0.62337 0.14542 1.00000
Rh11 Rh 0.75000 0.87663 0.14542 1.00000
Rh12 Rh 0.25000 0.12337 0.85458 1.00000
Rh13 Rh 0.25000 0.55864 0.04076 1.00000
Rh14 Rh 0.75000 0.44136 0.95924 1.00000
Rh15 Rh 0.75000 0.05864 0.95924 1.00000
Rh16 Rh 0.25000 0.94136 0.04076 1.00000
Rh17 Rh 0.25000 0.62668 0.35679 1.00000
Rh18 Rh 0.75000 0.37332 0.64321 1.00000
Rh19 Rh 0.75000 0.12668 0.64321 1.00000
Rh20 Rh 0.25000 0.87332 0.35679 1.00000
Rh21 Rh 0.25000 0.75000 0.84396 1.00000
Rh22 Rh 0.75000 0.25000 0.15604 1.00000
Rh23 Rh 0.25000 0.25000 0.35704 1.00000
Rh24 Rh 0.75000 0.75000 0.64296 1.00000
Rh25 Rh 0.25000 0.25000 0.72740 1.00000
Rh26 Rh 0.75000 0.75000 0.27260 1.00000
