Ho5Er(TmIn2)4

High-Entropy Materials HEA

MP-ID: mp-3295918 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho5Er(TmIn2)4

MP-ID

mp-3295918

Elements

Sites

Density

8.9585

g/cm³

Volume

479.37

Å³

Cell a

9.1619

Cell b

9.1619

Cell c

6.5919

α Angle

90.00

β Angle

90.00

γ Angle

119.96

Space Group

Amm2

Point Group

mm2

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
19.38	4.5809	1.3	(2,-1,-1,0)
23.64	3.7632	2.2	(1,1,-2,1)
23.65	3.7618	4.6	(2,-1,-1,1)
27.05	3.2959	10.7	(0,0,0,2)
29.34	3.0440	1.7	(1,0,-1,2)
29.78	3.0006	1.7	(2,1,-3,0)
29.79	2.9993	1.7	(3,-1,-2,0)
29.80	2.9986	1.6	(3,-2,-1,0)
32.79	2.7310	17.3	(2,1,-3,1)
32.81	2.7300	17.0	(3,-1,-2,1)
32.81	2.7295	17.2	(3,-2,-1,1)
33.49	2.6759	58.1	(1,1,-2,2)
33.49	2.6754	58.0	(1,-2,1,2)
33.49	2.6754	58.0	(2,-1,-1,2)
33.88	2.6458	100.0	(3,0,-3,0)
33.90	2.6443	50.1	(3,-3,0,0)
43.33	2.0883	5.3	(3,1,-4,1)
43.34	2.0878	5.3	(4,-1,-3,1)
43.35	2.0871	5.1	(4,-3,-1,1)
43.88	2.0633	3.6	(3,0,-3,2)
43.90	2.0625	1.8	(3,-3,0,2)
45.72	1.9844	1.1	(4,0,-4,0)
48.37	1.8816	17.2	(2,2,-4,2)
48.39	1.8809	34.8	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.55181

eV/atom

Energy/atom

-29.40987

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.4099

eV/atom

Volume/atom

26.63

Å³

c/a Ratio

0.7195

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9439

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001970

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.319%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2689

smaller = more stable mixing

VEC

7.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnqc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295918

Reference Citation

The crystal structure and related material properties of Ho5Er(TmIn2)4 were obtained from the Materials Project database (MP-ID: mp-3295918, 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_Ho5Er(TmIn2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16184816
_cell_length_b   9.16184825
_cell_length_c   6.59187653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96158641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Er(TmIn2)4
_chemical_formula_sum   'Ho5 Er1 Tm4 In8'
_cell_volume   479.37331719
_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  0.28910897  0.99989958  0.75000000  1.0
  Ho  Ho1  1  0.71047363  0.99963568  0.25000000  1.0
  Ho  Ho2  1  0.99989958  0.28910897  0.75000000  1.0
  Ho  Ho3  1  0.99963568  0.71047363  0.25000000  1.0
  Ho  Ho4  1  0.71157066  0.71157066  0.75000000  1.0
  Er  Er5  1  0.28935516  0.28935516  0.25000000  1.0
  Tm  Tm6  1  0.33336009  0.66619902  0.49994305  1.0
  Tm  Tm7  1  0.66619902  0.33336009  0.49994305  1.0
  Tm  Tm8  1  0.66619902  0.33336009  0.00005695  1.0
  Tm  Tm9  1  0.33336009  0.66619902  0.00005695  1.0
  In  In10  1  0.00079390  0.00079390  0.49935470  1.0
  In  In11  1  0.00079390  0.00079390  0.00064530  1.0
  In  In12  1  0.62676692  0.00005942  0.75000000  1.0
  In  In13  1  0.37270503  0.00025250  0.25000000  1.0
  In  In14  1  0.00005942  0.62676692  0.75000000  1.0
  In  In15  1  0.00025250  0.37270503  0.25000000  1.0
  In  In16  1  0.37337809  0.37337809  0.75000000  1.0
  In  In17  1  0.62608834  0.62608834  0.25000000  1.0

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