Ho2Zn3Ag4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292545 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Ho2Zn3Ag4

MP-ID

mp-3292545

Elements

Sites

Density

9.6610

g/cm³

Volume

329.17

Å³

Cell a

5.2581

Cell b

5.2581

Cell c

13.7723

α Angle

90.00

β Angle

90.00

γ Angle

120.17

Space Group

Cmcm

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
12.86	6.8862	4.0	(0,0,0,2)
19.48	4.5576	1.6	(1,-1,0,0)
20.58	4.3166	3.2	(1,0,-1,1)
25.88	3.4431	24.2	(0,0,0,4)
27.62	3.2301	3.0	(1,0,-1,3)
27.62	3.2301	3.0	(0,1,-1,3)
32.59	2.7473	34.6	(1,-1,0,4)
32.63	2.7446	7.7	(1,0,-1,4)
34.10	2.6290	19.6	(2,-1,-1,0)
34.20	2.6221	39.5	(1,1,-2,0)
34.74	2.5824	33.4	(2,-1,-1,1)
34.74	2.5824	33.4	(1,-2,1,1)
34.83	2.5758	17.3	(1,1,-2,1)
36.59	2.4561	4.4	(2,-1,-1,2)
36.59	2.4561	4.4	(1,-2,1,2)
36.67	2.4505	14.0	(1,1,-2,2)
38.20	2.3557	69.2	(1,0,-1,5)
39.25	2.2954	50.0	(0,0,0,6)
39.50	2.2814	100.0	(2,-1,-1,3)
39.50	2.2814	100.0	(1,-2,1,3)
39.55	2.2788	7.3	(2,-2,0,0)
39.58	2.2769	56.2	(1,1,-2,3)
39.66	2.2728	12.7	(2,0,-2,0)
40.22	2.2425	10.7	(2,0,-2,1)

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Energy Properties

Formation Energy/atom

-0.34061

eV/atom

Energy/atom

-20.10928

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.1093

eV/atom

Volume/atom

18.29

Å³

c/a Ratio

2.6193

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0050

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.444

Element Family

4d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

2.8902

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.372%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2703

smaller = more stable mixing

VEC

11.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.615

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.444

Related Tasks

Related computation task IDs (1)

aaahfiqj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292545

Reference Citation

The crystal structure and related material properties of Ho2Zn3Ag4 were obtained from the Materials Project database (MP-ID: mp-3292545, 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_Ho2Zn3Ag4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25807373
_cell_length_b   5.25807300
_cell_length_c   13.77229099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.17475838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Zn3Ag4
_chemical_formula_sum   'Ho4 Zn6 Ag8'
_cell_volume   329.17180145
_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
  Ho  Ho0  1  0.80756854  0.80756854  0.12141038  1.0
  Ho  Ho1  1  0.19243146  0.19243146  0.87858962  1.0
  Ho  Ho2  1  0.80756854  0.80756854  0.37858962  1.0
  Ho  Ho3  1  0.19243146  0.19243146  0.62141038  1.0
  Zn  Zn4  1  0.18454554  0.68769206  0.75000000  1.0
  Zn  Zn5  1  0.68769206  0.18454554  0.75000000  1.0
  Zn  Zn6  1  0.68688824  0.68688824  0.75000000  1.0
  Zn  Zn7  1  0.31230794  0.81545446  0.25000000  1.0
  Zn  Zn8  1  0.81545446  0.31230794  0.25000000  1.0
  Zn  Zn9  1  0.31311176  0.31311176  0.25000000  1.0
  Ag  Ag10  1  0.15077509  0.47410216  0.07804013  1.0
  Ag  Ag11  1  0.52589784  0.84922491  0.92195987  1.0
  Ag  Ag12  1  0.47410216  0.15077509  0.07804013  1.0
  Ag  Ag13  1  0.84922491  0.52589784  0.57804013  1.0
  Ag  Ag14  1  0.47410216  0.15077509  0.42195987  1.0
  Ag  Ag15  1  0.84922491  0.52589784  0.92195987  1.0
  Ag  Ag16  1  0.52589784  0.84922491  0.57804013  1.0
  Ag  Ag17  1  0.15077509  0.47410216  0.42195987  1.0

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