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Ce5Rh4

Traditional Materials TRA

MP-ID: mp-680602 · Space group: Pnma (#62)

Basic Information

Formula
Ce5Rh4
MP-ID
mp-680602
Elements
2
Sites
36
Density
8.8629
g/cm³
Volume
833.52
ų
Cell a
7.3562
Å
Cell b
7.5160
Å
Cell c
15.0758
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.74 7.5379 1.6 (0,0,2)
16.86 5.2572 1.5 (1,1,0)
24.20 3.6781 1.2 (2,0,0)
24.92 3.5733 2.3 (2,0,1)
26.64 3.3466 3.8 (1,2,0)
26.99 3.3037 2.1 (2,1,0)
27.30 3.2670 1.6 (1,2,1)
27.64 3.2271 3.6 (2,1,1)
29.15 3.0631 1.9 (1,1,4)
30.11 2.9680 9.4 (2,0,3)
31.98 2.7984 9.3 (0,1,5)
32.13 2.7854 98.9 (1,2,3)
32.43 2.7606 100.0 (2,1,3)
33.68 2.6612 39.8 (0,2,4)
34.06 2.6323 6.6 (2,0,4)
34.11 2.6286 16.1 (2,2,0)
34.28 2.6155 32.5 (1,1,5)
34.64 2.5895 20.6 (2,2,1)
35.74 2.5126 31.0 (0,0,6)
35.89 2.5025 27.7 (1,2,4)
36.16 2.4844 20.7 (2,1,4)
36.19 2.4820 4.7 (2,2,2)
37.94 2.3716 10.6 (1,3,0)
38.42 2.3427 41.1 (1,3,1)
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Energy Properties

Formation Energy/atom
-0.69041
eV/atom
Energy/atom
-28.55131
eV/atom
Energy above Hull
0.0249
eV/atom
Uncorrected Energy
-7.2314
eV/atom
Volume/atom
23.15
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
12.3262
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.014790
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.630
Family
Binary Alloy
Matrix Element
Ce · 0.556

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-680602
Reference Citation

The crystal structure and related material properties of Ce5Rh4 were obtained from the Materials Project database (MP-ID: mp-680602, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ce5Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35615700
_cell_length_b   7.51594600
_cell_length_c   15.07582100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5Rh4
_chemical_formula_sum   'Ce20 Rh16'
_cell_volume   833.51920944
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.01154000  0.67852000  0.09088400  1.0
  Ce  Ce1  1  0.83457000  0.83457400  0.62170800  1.0
  Ce  Ce2  1  0.98846000  0.32148000  0.59088400  1.0
  Ce  Ce3  1  0.17805500  0.02647400  0.75000000  1.0
  Ce  Ce4  1  0.51154000  0.82148000  0.40911600  1.0
  Ce  Ce5  1  0.48846000  0.17852000  0.59088400  1.0
  Ce  Ce6  1  0.16543000  0.16542600  0.37829200  1.0
  Ce  Ce7  1  0.33457000  0.66542600  0.87829200  1.0
  Ce  Ce8  1  0.67805500  0.47352600  0.75000000  1.0
  Ce  Ce9  1  0.33457000  0.66542600  0.62170800  1.0
  Ce  Ce10  1  0.01154000  0.67852000  0.40911600  1.0
  Ce  Ce11  1  0.48846000  0.17852000  0.90911600  1.0
  Ce  Ce12  1  0.82194500  0.97352600  0.25000000  1.0
  Ce  Ce13  1  0.51154000  0.82148000  0.09088400  1.0
  Ce  Ce14  1  0.98846000  0.32148000  0.90911600  1.0
  Ce  Ce15  1  0.83457000  0.83457400  0.87829200  1.0
  Ce  Ce16  1  0.66543000  0.33457400  0.12170800  1.0
  Ce  Ce17  1  0.16543000  0.16542600  0.12170800  1.0
  Ce  Ce18  1  0.66543000  0.33457400  0.37829200  1.0
  Ce  Ce19  1  0.32194500  0.52647400  0.25000000  1.0
  Rh  Rh20  1  0.02790200  0.62196400  0.75000000  1.0
  Rh  Rh21  1  0.81291100  0.03383100  0.46058300  1.0
  Rh  Rh22  1  0.47209800  0.12196400  0.25000000  1.0
  Rh  Rh23  1  0.18708900  0.96616900  0.96058300  1.0
  Rh  Rh24  1  0.69302300  0.64087000  0.25000000  1.0
  Rh  Rh25  1  0.30697700  0.35913000  0.75000000  1.0
  Rh  Rh26  1  0.97209800  0.37803600  0.25000000  1.0
  Rh  Rh27  1  0.68708900  0.53383100  0.53941700  1.0
  Rh  Rh28  1  0.31291100  0.46616900  0.03941700  1.0
  Rh  Rh29  1  0.31291100  0.46616900  0.46058300  1.0
  Rh  Rh30  1  0.52790200  0.87803600  0.75000000  1.0
  Rh  Rh31  1  0.68708900  0.53383100  0.96058300  1.0
  Rh  Rh32  1  0.81291100  0.03383100  0.03941700  1.0
  Rh  Rh33  1  0.80697700  0.14087000  0.75000000  1.0
  Rh  Rh34  1  0.18708900  0.96616900  0.53941700  1.0
  Rh  Rh35  1  0.19302300  0.85913000  0.25000000  1.0
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