Ce(HoOs)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3252141 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ce(HoOs)2

MP-ID

mp-3252141

Elements

Sites

Density

12.6278

g/cm³

Volume

111.83

Å³

Cell a

5.7455

Cell b

5.7437

Cell c

5.7451

α Angle

136.18

β Angle

118.72

γ Angle

78.32

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
19.93	4.4541	66.3	(1,1,-1)
23.02	3.8631	10.0	(0,1,0)
23.02	3.8631	10.0	(1,0,-1)
25.75	3.4604	9.8	(0,0,1)
25.76	3.4583	9.7	(1,-1,0)
30.53	2.9282	3.8	(1,-1,1)
32.77	2.7330	54.6	(1,1,0)
32.78	2.7323	54.5	(1,1,-2)
32.78	2.7319	54.6	(2,0,-1)
32.79	2.7313	54.6	(0,2,-1)
33.84	2.6489	35.8	(2,1,-1)
33.85	2.6480	35.8	(1,2,-2)
36.72	2.4472	46.3	(2,0,0)
36.74	2.4464	46.1	(0,2,-2)
36.82	2.4411	54.9	(1,2,-1)
36.82	2.4411	54.9	(2,1,-2)
38.57	2.3344	67.8	(1,0,1)
38.57	2.3340	67.9	(0,1,-2)
38.59	2.3331	67.7	(2,-1,0)
38.60	2.3327	67.8	(1,-2,1)
40.51	2.2271	52.0	(2,2,-2)
42.16	2.1436	100.0	(1,-1,-1)
47.05	1.9316	7.2	(0,2,0)
47.05	1.9315	7.2	(2,0,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.35860

eV/atom

Energy/atom

-40.87336

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.8734

eV/atom

Volume/atom

22.37

Å³

c/a Ratio

0.9999

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.4116

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.379%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4948

smaller = more stable mixing

VEC

8.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.109

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.400

Related Tasks

Related computation task IDs (1)

aaahdawj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252141

Reference Citation

The crystal structure and related material properties of Ce(HoOs)2 were obtained from the Materials Project database (MP-ID: mp-3252141, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ce(HoOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74546718
_cell_length_b   5.74374249
_cell_length_c   5.74510955
_cell_angle_alpha   136.17879565
_cell_angle_beta   118.71646557
_cell_angle_gamma   78.32474462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(HoOs)2
_chemical_formula_sum   'Ce1 Ho2 Os2'
_cell_volume   111.83147011
_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
  Ce  Ce0  1  0.99999976  0.99999991  0.99999981  1.0
  Ho  Ho1  1  0.69483278  0.19475372  0.50009367  1.0
  Ho  Ho2  1  0.30516680  0.80524646  0.49990583  1.0
  Os  Os3  1  0.72878249  0.50006151  0.22883206  1.0
  Os  Os4  1  0.27121816  0.49993841  0.77116863  1.0

Get direct link