LaOs2Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-631522 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

LaOs2Rh

MP-ID

mp-631522

Elements

Sites

Density

14.3021

g/cm³

Volume

72.25

Å³

Cell a

4.6750

Cell b

4.6750

Cell c

4.6750

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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 8)

2θ	d (Å)	I	hkl
26.97	3.3057	5.5	(1,1,0)
38.51	2.3375	100.0	(2,1,1)
47.65	1.9086	1.7	(2,2,2)
55.60	1.6529	17.3	(2,2,0)
62.86	1.4784	2.4	(3,2,1)
69.67	1.3496	35.2	(2,-1,-1)
82.54	1.1688	11.2	(4,2,2)
88.79	1.1019	1.3	(4,1,1)

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Energy Properties

Formation Energy/atom

0.75873

eV/atom

Energy/atom

-7.93003

eV/atom

Energy above Hull

1.1287

eV/atom

Uncorrected Energy

-39.2263

eV/atom

Volume/atom

18.06

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1493

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.057430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.0827

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.448%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4890

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.043

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

Os-rich Multi-Component

Matrix Element

Os · 0.500

Related Tasks

Related computation task IDs (5)

aaadnxru aaadurys aaaesedv aaafsmvo aaagjskt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631522

Reference Citation

The crystal structure and related material properties of LaOs2Rh were obtained from the Materials Project database (MP-ID: mp-631522, 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

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Raw CIF Data

# generated using pymatgen
data_LaOs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67499202
_cell_length_b   4.67499202
_cell_length_c   4.67499202
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Rh
_chemical_formula_sum   'La1 Os2 Rh1'
_cell_volume   72.24829858
_cell_formula_units_Z   1
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
  La  La0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Os  Os1  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os2  1  0.75000000  0.75000000  0.75000000  1.0
  Rh  Rh3  1  0.50000000  0.50000000  0.50000000  1.0

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