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Lu5Rh3

Traditional Materials TRA

MP-ID: mp-865778 · Space group: P6_3/mcm (#193)

Basic Information

Formula
Lu5Rh3
MP-ID
mp-865778
Elements
2
Sites
16
Density
11.4451
g/cm³
Volume
343.44
ų
Cell a
8.0710
Å
Cell b
8.0710
Å
Cell c
6.0882
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.01
°
Space Group
P6_3/mcm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.66 6.9899 15.0 (1,-1,0,0)
12.67 6.9893 15.0 (1,0,-1,0)
12.67 6.9893 15.0 (0,1,-1,0)
25.49 3.4949 18.3 (2,-2,0,0)
25.49 3.4947 18.3 (2,0,-2,0)
25.49 3.4947 18.3 (0,2,-2,0)
26.50 3.3637 7.1 (2,-1,-1,1)
26.50 3.3637 7.1 (1,-2,1,-1)
26.50 3.3637 14.2 (2,-1,-1,-1)
26.50 3.3635 7.1 (1,1,-2,1)
26.50 3.3635 7.1 (1,1,-2,-1)
29.34 3.0441 88.2 (0,0,0,2)
32.07 2.7909 21.3 (1,-1,0,2)
32.07 2.7909 21.3 (1,-1,0,-2)
32.07 2.7909 21.2 (1,0,-1,2)
32.07 2.7909 21.2 (0,1,-1,2)
32.07 2.7909 21.2 (0,1,-1,-2)
32.07 2.7909 21.2 (1,0,-1,-2)
33.93 2.6419 29.7 (3,-2,-1,0)
33.93 2.6419 29.7 (2,-3,1,0)
33.93 2.6418 29.6 (3,-1,-2,0)
33.93 2.6418 29.6 (1,-3,2,0)
33.94 2.6417 29.6 (2,1,-3,0)
33.94 2.6417 29.6 (1,2,-3,0)
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Energy Properties

Formation Energy/atom
-0.85629
eV/atom
Energy/atom
-33.70730
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.7073
eV/atom
Volume/atom
21.46
ų
c/a Ratio
0.7543

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0011
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
Lu · 0.625

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-865778
Reference Citation

The crystal structure and related material properties of Lu5Rh3 were obtained from the Materials Project database (MP-ID: mp-865778, 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_Lu5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07101804
_cell_length_b   8.07098615
_cell_length_c   6.08814719
_cell_angle_alpha   89.99979703
_cell_angle_beta   89.99946175
_cell_angle_gamma   120.00540039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu5Rh3
_chemical_formula_sum   'Lu10 Rh6'
_cell_volume   343.43698210
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.33328331  0.66671626  0.00000033  1.0
  Lu  Lu1  1  0.66671669  0.33328374  0.49999933  1.0
  Lu  Lu2  1  0.66671669  0.33328374  -0.00000033  1.0
  Lu  Lu3  1  0.33328331  0.66671626  0.49999967  1.0
  Lu  Lu4  1  0.25654808  0.00004378  0.25000000  1.0
  Lu  Lu5  1  0.74345092  0.99995622  0.75000100  1.0
  Lu  Lu6  1  0.00004476  0.25654771  0.25000000  1.0
  Lu  Lu7  1  0.74336487  0.74336476  0.25000000  1.0
  Lu  Lu8  1  0.25663513  0.25663524  0.75000100  1.0
  Lu  Lu9  1  0.99995624  0.74345229  0.75000100  1.0
  Rh  Rh10  1  0.60643799  0.00000920  0.25000000  1.0
  Rh  Rh11  1  0.39356101  0.99999080  0.75000100  1.0
  Rh  Rh12  1  0.00001030  0.60644289  0.25000000  1.0
  Rh  Rh13  1  0.39360542  0.39360277  0.25000000  1.0
  Rh  Rh14  1  0.60639558  0.60639723  0.75000100  1.0
  Rh  Rh15  1  0.99998970  0.39355711  0.75000100  1.0
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