Ho2UAs3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3251429 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho2UAs3

MP-ID

mp-3251429

Elements

Sites

Density

8.9393

g/cm³

Volume

147.24

Å³

Cell a

7.1359

Cell b

7.1359

Cell c

7.1359

α Angle

146.73

β Angle

131.82

γ Angle

59.81

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
14.32	6.1856	2.0	(1,1,-1)
16.82	5.2707	2.3	(0,1,-1)
22.92	3.8798	1.2	(1,0,-1)
26.48	3.3659	23.8	(1,2,-2)
26.65	3.3452	11.7	(1,-1,0)
26.65	3.3452	11.7	(0,0,1)
30.38	2.9425	1.3	(0,2,-1)
30.69	2.9129	50.5	(1,-1,1)
30.81	2.9025	100.0	(2,1,-2)
43.91	2.0619	19.0	(3,3,-3)
44.04	2.0560	18.9	(3,0,-1)
44.04	2.0560	18.9	(0,3,-2)
44.04	2.0560	37.7	(1,2,-3)
44.34	2.0429	18.5	(1,-1,-1)
52.05	1.7569	4.0	(0,3,-3)
52.11	1.7552	4.0	(4,2,-3)
52.11	1.7552	4.0	(3,3,-4)
52.15	1.7539	2.0	(2,-2,1)
52.15	1.7539	2.0	(1,-1,2)
52.39	1.7464	2.0	(3,0,-2)
52.39	1.7464	3.9	(0,3,-1)
52.39	1.7464	2.0	(1,2,0)
54.53	1.6829	20.2	(2,4,-4)
54.89	1.6726	9.9	(2,-2,0)

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Energy Properties

Formation Energy/atom

-1.59466

eV/atom

Energy/atom

-33.23255

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.2326

eV/atom

Volume/atom

24.54

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.7192

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

As · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.690%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4528

smaller = more stable mixing

VEC

6.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.438

Family

As-rich Multi-Component

Matrix Element

As · 0.500

Related Tasks

Related computation task IDs (1)

aaahczuz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251429

Reference Citation

The crystal structure and related material properties of Ho2UAs3 were obtained from the Materials Project database (MP-ID: mp-3251429, 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_Ho2UAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13586978
_cell_length_b   7.13586961
_cell_length_c   7.13586922
_cell_angle_alpha   146.72781973
_cell_angle_beta   131.81503393
_cell_angle_gamma   59.81446313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2UAs3
_chemical_formula_sum   'Ho2 U1 As3'
_cell_volume   147.24144214
_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
  Ho  Ho0  1  0.66534280  0.66534280  0.00000000  1.0
  Ho  Ho1  1  0.33465720  0.33465720  1.00000000  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  As  As3  1  0.50000000  0.00000000  0.50000000  1.0
  As  As4  1  0.16801549  0.66801549  0.50000000  1.0
  As  As5  1  0.83198451  0.33198451  0.50000000  1.0

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