RuRh3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974341 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

RuRh3

MP-ID

mp-974341

Elements

Sites

Density

12.3783

g/cm³

Volume

109.95

Å³

Cell a

5.4184

Cell b

5.4185

Cell c

4.3241

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 21)

2θ	d (Å)	I	hkl
38.36	2.3463	24.6	(2,-2,0,0)
38.37	2.3462	12.3	(2,0,-2,0)
41.78	2.1621	38.5	(0,0,0,2)
43.90	2.0623	100.0	(2,-2,0,1)
43.90	2.0622	50.0	(2,0,-2,1)
58.01	1.5900	14.4	(2,-2,0,2)
58.01	1.5899	7.2	(2,0,-2,2)
69.38	1.3546	8.3	(2,-4,2,0)
69.38	1.3546	8.3	(2,2,-4,0)
69.38	1.3546	8.3	(4,-2,-2,0)
77.76	1.2281	8.9	(0,2,-2,3)
77.76	1.2281	8.9	(2,-2,0,3)
77.76	1.2281	8.9	(2,0,-2,3)
82.17	1.1731	1.3	(0,4,-4,0)
82.17	1.1731	1.3	(4,-4,0,0)
82.17	1.1731	1.3	(4,0,-4,0)
84.38	1.1479	9.7	(2,-4,2,2)
84.38	1.1479	19.5	(4,-2,-2,2)
85.83	1.1322	7.0	(0,4,-4,1)
85.83	1.1322	7.0	(4,-4,0,1)
85.83	1.1322	7.0	(4,0,-4,1)

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Energy Properties

Formation Energy/atom

0.04508

eV/atom

Energy/atom

-24.41322

eV/atom

Energy above Hull

0.0455

eV/atom

Uncorrected Energy

-24.4132

eV/atom

Volume/atom

13.74

Å³

c/a Ratio

0.7980

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

267.514

GPa

G_VRH

110.675

GPa

Young's Modulus E

291.786

GPa

Poisson Ratio ν

0.318

Pugh Ratio K/G

2.417

Vickers Hardness Est.

8.177

GPa

Ductility

Brittle

Anisotropy

0.521

Lame λ

193.731

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.691

Family

Binary Alloy

Matrix Element

Rh · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5210

Homogeneous Poisson ν

0.3180

Debye Temperature

416.0

Sound Velocity

3,347.8

m/s

Homogeneity

0.3180

Related Tasks

Related computation task IDs (5)

aaadoebs aaadvtrc aaaelwsb aaaeqemp aaafbbsg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974341

Reference Citation

The crystal structure and related material properties of RuRh3 were obtained from the Materials Project database (MP-ID: mp-974341, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_RuRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41840643
_cell_length_b   5.41849383
_cell_length_c   4.32412280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00052529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRh3
_chemical_formula_sum   'Ru2 Rh6'
_cell_volume   109.94526049
_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
  Ru  Ru0  1  0.33334880  0.66666444  0.74999900  1.0
  Ru  Ru1  1  0.66665083  0.33330872  0.24999900  1.0
  Rh  Rh2  1  0.16759404  0.33516000  0.24999900  1.0
  Rh  Rh3  1  0.66487387  0.83245204  0.24999900  1.0
  Rh  Rh4  1  0.16761705  0.83244291  0.24999900  1.0
  Rh  Rh5  1  0.83235789  0.66477356  0.74999900  1.0
  Rh  Rh6  1  0.33518442  0.16760108  0.74999900  1.0
  Rh  Rh7  1  0.83237011  0.16759325  0.74999900  1.0

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