Ce7Ge5Rh2
Alexandria ALEXAlex-ID: agm007922293 · Space group: Pnma (#62)
Basic Information
Formula
Ce7Ge5Rh2
Alex-ID
agm007922293
Elements
3
Sites
56
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
1,352.51
ų
Cell a
4.1759
Å
Cell b
13.9151
Å
Cell c
23.2759
Å
α angle
90.00
°
β angle
90.01
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ce7Ge5Rh2
Ce
28.00 · 50.0%
Ge
20.00 · 35.7%
Rh
8.00 · 14.3%
Energy & Stability
Energy above hull
0.0097
eV/atom
Formation energy
-0.7737
eV/atom
Corrected total energy
-360.6372
eV
Raw total energy
-360.6372
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
113.0276
Total magnetisation
24.4964
μB
Additional Information
Prototype ID
A2B5C7_6_spg62
Decomposition
Ce3Ge2Rh CeGeRh Ce5Ge4
Computed at
2025-02-28 18:26:41
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: agm007922293).
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 agm007922293
data_agm007922293
_cell_length_a 4.17587
_cell_length_b 13.91511
_cell_length_c 23.27590
_cell_angle_alpha 90.00000
_cell_angle_beta 90.01061
_cell_angle_gamma 90.00000
_cell_volume 1352.50730
_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 0.25009 0.87411 0.02612 1.00000
Ce2 Ce 0.25009 0.62589 0.52612 1.00000
Ce3 Ce 0.74991 0.12589 0.97388 1.00000
Ce4 Ce 0.74991 0.37411 0.47388 1.00000
Ce5 Ce 0.24990 0.46585 0.36456 1.00000
Ce6 Ce 0.24990 0.03415 0.86456 1.00000
Ce7 Ce 0.75010 0.53415 0.63544 1.00000
Ce8 Ce 0.75010 0.96585 0.13544 1.00000
Ce9 Ce 0.25019 0.74363 0.38982 1.00000
Ce10 Ce 0.25019 0.75637 0.88982 1.00000
Ce11 Ce 0.74981 0.25637 0.61018 1.00000
Ce12 Ce 0.74981 0.24363 0.11018 1.00000
Ce13 Ce 0.24992 0.59261 0.22504 1.00000
Ce14 Ce 0.24992 0.90739 0.72504 1.00000
Ce15 Ce 0.75008 0.40739 0.77496 1.00000
Ce16 Ce 0.75008 0.09261 0.27496 1.00000
Ce17 Ce 0.24963 0.45052 0.06605 1.00000
Ce18 Ce 0.24963 0.04948 0.56605 1.00000
Ce19 Ce 0.75037 0.54948 0.93395 1.00000
Ce20 Ce 0.75037 0.95052 0.43395 1.00000
Ce21 Ce 0.24971 0.17640 0.39651 1.00000
Ce22 Ce 0.24971 0.32360 0.89651 1.00000
Ce23 Ce 0.75029 0.82360 0.60349 1.00000
Ce24 Ce 0.75029 0.67640 0.10349 1.00000
Ce25 Ce 0.24958 0.32804 0.23532 1.00000
Ce26 Ce 0.24958 0.17196 0.73532 1.00000
Ce27 Ce 0.75042 0.67196 0.76468 1.00000
Ce28 Ce 0.75042 0.82804 0.26468 1.00000
Ge1 Ge 0.25038 0.85324 0.50955 1.00000
Ge2 Ge 0.25038 0.64676 0.00955 1.00000
Ge3 Ge 0.74962 0.14676 0.49045 1.00000
Ge4 Ge 0.74962 0.35324 0.99045 1.00000
Ge5 Ge 0.25000 0.08313 0.06845 1.00000
Ge6 Ge 0.25000 0.41687 0.56845 1.00000
Ge7 Ge 0.75000 0.91687 0.93155 1.00000
Ge8 Ge 0.75000 0.58313 0.43155 1.00000
Ge9 Ge 0.24996 0.12657 0.17840 1.00000
Ge10 Ge 0.24996 0.37343 0.67840 1.00000
Ge11 Ge 0.75004 0.87343 0.82160 1.00000
Ge12 Ge 0.75004 0.62657 0.32160 1.00000
Ge13 Ge 0.25035 0.95781 0.33950 1.00000
Ge14 Ge 0.25035 0.54219 0.83950 1.00000
Ge15 Ge 0.74965 0.04219 0.66050 1.00000
Ge16 Ge 0.74965 0.45781 0.16050 1.00000
Ge17 Ge 0.25033 0.80312 0.16154 1.00000
Ge18 Ge 0.25033 0.69688 0.66154 1.00000
Ge19 Ge 0.74967 0.19688 0.83846 1.00000
Ge20 Ge 0.74967 0.30312 0.33846 1.00000
Rh1 Rh 0.24956 0.24806 0.01924 1.00000
Rh2 Rh 0.24956 0.25194 0.51924 1.00000
Rh3 Rh 0.75044 0.75194 0.98076 1.00000
Rh4 Rh 0.75044 0.74806 0.48076 1.00000
Rh5 Rh 0.25034 0.95908 0.22753 1.00000
Rh6 Rh 0.25034 0.54092 0.72753 1.00000
Rh7 Rh 0.74966 0.04092 0.77247 1.00000
Rh8 Rh 0.74966 0.45908 0.27247 1.00000
