Ho(FeSn)6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1172877 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho(FeSn)6

MP-ID

mp-1172877

Elements

Sites

Density

8.8149

g/cm³

Volume

685.09

Å³

Cell a

15.0104

Cell b

15.0104

Cell c

15.0104

α Angle

159.14

β Angle

145.26

γ Angle

40.87

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic I

Stability

Packing Fraction

0.6800

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
10.36	8.5389	1.7	(0,1,-1)
18.87	4.7022	1.0	(2,1,-2)
19.81	4.4809	8.5	(1,-1,1)
27.50	3.2439	2.8	(3,0,-1)
27.53	3.2394	1.2	(2,4,-4)
30.08	2.9705	13.6	(1,-2,2)
31.43	2.8463	3.3	(0,3,-3)
32.96	2.7174	50.6	(1,-1,-1)
33.06	2.7096	100.0	(5,4,-5)
33.98	2.6384	11.7	(1,4,-4)
34.25	2.6179	2.9	(2,-2,1)
34.86	2.5737	21.7	(1,-3,2)
36.63	2.4534	19.5	(0,4,-3)
37.51	2.3975	9.6	(2,5,-5)
38.28	2.3511	30.4	(4,2,-4)
38.40	2.3443	14.6	(6,6,-6)
38.75	2.3235	47.0	(2,-2,0)
38.84	2.3186	93.1	(6,3,-4)
39.42	2.2857	4.1	(1,5,-4)
40.25	2.2404	36.4	(2,-2,2)
41.83	2.1596	1.6	(3,6,-6)
43.08	2.0999	14.5	(2,6,-5)
43.47	2.0819	46.1	(5,1,-3)
43.57	2.0772	23.6	(5,7,-7)

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Energy Properties

Formation Energy/atom

-0.10555

eV/atom

Energy/atom

-6.21903

eV/atom

Energy above Hull

0.0287

eV/atom

Uncorrected Energy

-6.2190

eV/atom

Volume/atom

17.57

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

38.2793

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.055870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.462

Element Family

3d-TM

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5742

J/mol·K

Ω Parameter

1.0688

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.936%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1879

smaller = more stable mixing

VEC

6.385

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

8.521

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8292

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.672

Family

Fe-rich Multi-Component

Matrix Element

Fe · 0.462

Related Tasks

Related computation task IDs (1)

aaaecqbc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1172877

Reference Citation

The crystal structure and related material properties of Ho(FeSn)6 were obtained from the Materials Project database (MP-ID: mp-1172877, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Ho(FeSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.01041629
_cell_length_b   15.01041629
_cell_length_c   15.01041629
_cell_angle_alpha   159.13980177
_cell_angle_beta   145.26288258
_cell_angle_gamma   40.86728945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(FeSn)6
_chemical_formula_sum   'Ho3 Fe18 Sn18'
_cell_volume   685.08944432
_cell_formula_units_Z   3
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  0.16820800  0.66820800  0.50000000  1.0
  Ho  Ho1  1  0.83179200  0.33179200  0.50000000  1.0
  Ho  Ho2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe4  1  0.24659100  0.50000000  0.74659100  1.0
  Fe  Fe5  1  0.16259800  0.66697400  0.99630100  1.0
  Fe  Fe6  1  0.16259800  0.16629600  0.49562400  1.0
  Fe  Fe7  1  0.32932700  0.33302600  0.49562400  1.0
  Fe  Fe8  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe9  1  0.41373200  0.16672600  0.24700600  1.0
  Fe  Fe10  1  0.08028000  0.83327400  0.24700600  1.0
  Fe  Fe11  1  0.58626800  0.83327400  0.75299400  1.0
  Fe  Fe12  1  0.83740200  0.33302600  0.00369900  1.0
  Fe  Fe13  1  0.91972000  0.16672600  0.75299400  1.0
  Fe  Fe14  1  0.83740200  0.83370400  0.50437600  1.0
  Fe  Fe15  1  0.75340900  0.50000000  0.25340900  1.0
  Fe  Fe16  1  0.67067300  0.16629600  0.00369900  1.0
  Fe  Fe17  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe18  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe19  1  0.67067300  0.66697400  0.50437600  1.0
  Fe  Fe20  1  0.32932700  0.83370400  0.99630100  1.0
  Sn  Sn21  1  0.94432000  0.44432000  0.50000000  1.0
  Sn  Sn22  1  0.28000500  0.78000500  0.50000000  1.0
  Sn  Sn23  1  0.61026800  0.11026800  0.50000000  1.0
  Sn  Sn24  1  0.66298900  0.00000000  0.66298900  1.0
  Sn  Sn25  1  0.33701100  0.00000000  0.33701100  1.0
  Sn  Sn26  1  0.17092900  0.33382400  0.83710600  1.0
  Sn  Sn27  1  0.71999500  0.21999500  0.50000000  1.0
  Sn  Sn28  1  0.50328200  0.66617600  0.83710600  1.0
  Sn  Sn29  1  0.05568000  0.55568000  0.50000000  1.0
  Sn  Sn30  1  0.38973200  0.88973200  0.50000000  1.0
  Sn  Sn31  1  0.77656100  0.77656100  0.00000000  1.0
  Sn  Sn32  1  0.88781400  0.88781400  0.00000000  1.0
  Sn  Sn33  1  0.11218600  0.11218600  0.00000000  1.0
  Sn  Sn34  1  0.55554200  0.55554200  0.00000000  1.0
  Sn  Sn35  1  0.22343900  0.22343900  0.00000000  1.0
  Sn  Sn36  1  0.82907100  0.66617600  0.16289400  1.0
  Sn  Sn37  1  0.44445800  0.44445800  0.00000000  1.0
  Sn  Sn38  1  0.49671800  0.33382400  0.16289400  1.0

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