La8HoErRu4

High-Entropy Materials HEA

MP-ID: mp-3292473 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

La8HoErRu4

MP-ID

mp-3292473

Elements

Sites

Density

7.5642

g/cm³

Volume

405.62

Å³

Cell a

6.7567

Cell b

7.1495

Cell c

9.0686

α Angle

93.59

β Angle

111.87

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
10.54	8.3967	16.9	(0,0,1)
14.13	6.2684	13.6	(1,0,0)
19.08	4.6509	35.6	(1,1,0)
21.16	4.1983	1.6	(0,0,2)
24.68	3.6073	1.9	(1,1,1)
24.68	3.6073	1.9	(1,-1,-2)
24.97	3.5666	7.5	(0,2,0)
26.38	3.3784	3.3	(2,0,-1)
26.48	3.3655	4.4	(0,2,-1)
27.83	3.2058	13.8	(0,2,1)
28.48	3.1342	2.0	(2,0,0)
28.48	3.1341	40.0	(1,2,-1)
29.12	3.0669	6.9	(1,2,0)
29.12	3.0669	6.9	(1,-2,-1)
29.25	3.0532	100.0	(2,1,-1)
29.70	3.0076	67.9	(1,0,2)
29.70	3.0076	67.9	(1,0,-3)
30.87	2.8964	42.0	(2,-1,0)
31.47	2.8432	19.8	(2,1,0)
31.47	2.8432	19.8	(2,-1,-2)
31.58	2.8333	19.1	(1,-1,2)
31.58	2.8333	19.1	(1,1,-3)
31.72	2.8209	39.1	(1,-2,1)
31.81	2.8135	27.6	(0,2,-2)

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Energy Properties

Formation Energy/atom

-0.32362

eV/atom

Energy/atom

-29.35671

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.3567

eV/atom

Volume/atom

28.97

Å³

c/a Ratio

1.3422

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0779

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

0.8188

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.238%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4869

smaller = more stable mixing

VEC

5.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.982

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfinp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292473

Reference Citation

The crystal structure and related material properties of La8HoErRu4 were obtained from the Materials Project database (MP-ID: mp-3292473, 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_La8HoErRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75672615
_cell_length_b   7.14950021
_cell_length_c   9.06862023
_cell_angle_alpha   93.58997450
_cell_angle_beta   111.87192809
_cell_angle_gamma   89.99999585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8HoErRu4
_chemical_formula_sum   'La8 Ho1 Er1 Ru4'
_cell_volume   405.61984928
_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  0.79092928  0.60119395  0.81775508  1.0
  La  La1  1  0.97317419  0.89880605  0.18224492  1.0
  La  La2  1  0.20888900  0.39833435  0.18226841  1.0
  La  La3  1  0.02662059  0.10166565  0.81773159  1.0
  La  La4  1  0.21298754  0.68092906  0.57762281  1.0
  La  La5  1  0.63536574  0.81907094  0.42237719  1.0
  La  La6  1  0.78698261  0.31895132  0.42170874  1.0
  La  La7  1  0.36527287  0.18104868  0.57829126  1.0
  Ho  Ho8  1  0.43384373  0.75000000  1.00000000  1.0
  Er  Er9  1  0.56544856  0.25000000  0.00000000  1.0
  Ru  Ru10  1  0.61198812  0.92359668  0.78531343  1.0
  Ru  Ru11  1  0.82667268  0.57640332  0.21468657  1.0
  Ru  Ru12  1  0.38833494  0.07724391  0.21484578  1.0
  Ru  Ru13  1  0.17349016  0.42275609  0.78515422  1.0

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