HoMgSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-977388 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

HoMgSn

MP-ID

mp-977388

Elements

Sites

Density

6.7911

g/cm³

Volume

150.60

Å³

Cell a

4.3674

Cell b

4.3674

Cell c

8.4778

α Angle

104.93

β Angle

104.93

γ Angle

90.00

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
11.21	7.8954	33.8	(0,0,1)
22.52	3.9477	40.3	(0,0,2)
26.52	3.3611	13.7	(1,0,1)
28.91	3.0882	100.0	(1,-1,0)
31.10	2.8760	39.0	(1,1,0)
34.07	2.6318	28.1	(0,0,3)
35.06	2.5592	31.8	(1,0,2)
36.96	2.4324	78.4	(1,1,1)
41.35	2.1837	55.6	(2,0,-1)
42.97	2.1047	5.6	(2,0,0)
45.27	2.0031	31.7	(1,1,2)
47.59	1.9108	23.1	(2,0,1)
49.80	1.8312	4.7	(2,1,0)
54.61	1.6805	29.4	(2,0,2)
55.30	1.6611	4.4	(2,1,1)
55.30	1.6611	13.1	(2,-1,2)
56.53	1.6281	7.5	(1,0,4)
56.53	1.6281	7.5	(1,0,-5)
58.45	1.5791	1.9	(0,0,5)
59.90	1.5441	18.8	(2,-2,0)
61.16	1.5154	2.0	(2,2,-1)
64.84	1.4380	9.4	(2,2,0)
66.51	1.4059	7.4	(1,1,4)
66.51	1.4059	2.5	(1,1,-6)

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Energy Properties

Formation Energy/atom

-0.54017

eV/atom

Energy/atom

-3.95274

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2452

eV/atom

Volume/atom

25.10

Å³

c/a Ratio

1.9412

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.3539

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.111%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3269

smaller = more stable mixing

VEC

5.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.111

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Related Tasks

Related computation task IDs (3)

aaacjaek aaadrdth aaaemtxy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-977388

Reference Citation

The crystal structure and related material properties of HoMgSn were obtained from the Materials Project database (MP-ID: mp-977388, 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_HoMgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36737993
_cell_length_b   4.36737993
_cell_length_c   8.47784402
_cell_angle_alpha   104.92628119
_cell_angle_beta   104.92628119
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMgSn
_chemical_formula_sum   'Ho2 Mg2 Sn2'
_cell_volume   150.59631304
_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  0.66687385  0.66687385  0.33374870  1.0
  Ho  Ho1  1  0.33312515  0.33312515  0.66625030  1.0
  Mg  Mg2  1  0.49999900  -0.00000000  -0.00000000  1.0
  Mg  Mg3  1  -0.00000000  0.49999900  -0.00000000  1.0
  Sn  Sn4  1  0.13648221  0.13648221  0.27296541  1.0
  Sn  Sn5  1  0.86351579  0.86351579  0.72703359  1.0

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