HoEr11InCo5

High-Entropy Materials HEA

MP-ID: mp-3296478 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

HoEr11InCo5

MP-ID

mp-3296478

Elements

Sites

Density

9.5328

g/cm³

Volume

420.55

Å³

Cell a

8.1797

Cell b

8.1797

Cell c

8.1791

α Angle

110.50

β Angle

111.17

γ Angle

106.78

Space Group

Point Group

Crystal System

Monoclinic

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
13.49	6.5658	2.3	(1,-1,0)
13.49	6.5650	2.0	(0,0,1)
26.45	3.3704	4.9	(2,0,-2)
26.56	3.3555	20.7	(2,0,0)
27.16	3.2829	4.0	(2,-2,0)
27.17	3.2825	4.0	(0,0,2)
29.08	3.0706	9.6	(2,1,-2)
29.08	3.0706	9.6	(1,2,-1)
29.11	3.0678	28.9	(2,1,-1)
30.18	2.9614	49.3	(2,-1,-2)
30.34	2.9462	7.8	(2,-2,-1)
30.34	2.9460	7.8	(1,-1,-2)
30.42	2.9389	7.3	(2,-1,1)
30.55	2.9264	25.8	(2,-2,1)
30.55	2.9262	25.9	(1,-1,2)
32.89	2.7236	50.2	(3,-1,-1)
32.89	2.7236	50.2	(1,-3,1)
32.89	2.7233	100.0	(1,1,1)
35.01	2.5628	2.4	(3,0,-2)
35.01	2.5627	2.5	(1,2,0)
35.08	2.5579	47.4	(3,0,-1)
35.08	2.5578	23.9	(2,1,0)
35.08	2.5578	23.9	(1,2,-3)
35.60	2.5219	22.3	(3,-1,-2)

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Energy Properties

Formation Energy/atom

-0.22236

eV/atom

Energy/atom

-27.71185

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7119

eV/atom

Volume/atom

23.36

Å³

c/a Ratio

0.9999

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1838

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000440

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.611

Element Family

Lanthanide

Solute Fraction

0.389

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9779

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1305

J/mol·K

Ω Parameter

13.0334

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.813%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2950

smaller = more stable mixing

VEC

10.611

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.068

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7054

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfolq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296478

Reference Citation

The crystal structure and related material properties of HoEr11InCo5 were obtained from the Materials Project database (MP-ID: mp-3296478, 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_HoEr11InCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17973385
_cell_length_b   8.17973223
_cell_length_c   8.17911141
_cell_angle_alpha   110.50189295
_cell_angle_beta   111.16722093
_cell_angle_gamma   106.78160651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoEr11InCo5
_chemical_formula_sum   'Ho1 Er11 In1 Co5'
_cell_volume   420.54727569
_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  0.28916340  0.18474409  0.47390749  1.0
  Er  Er1  1  0.71110139  0.81540272  0.52650211  1.0
  Er  Er2  1  0.28922736  0.81491397  0.10414133  1.0
  Er  Er3  1  0.71127079  0.18459767  0.89586945  1.0
  Er  Er4  1  0.61855241  0.31455033  0.30388081  1.0
  Er  Er5  1  0.38159585  0.68591828  0.69623316  1.0
  Er  Er6  1  0.01031488  0.31463731  0.69623316  1.0
  Er  Er7  1  0.98932847  0.68532739  0.30388081  1.0
  Er  Er8  1  0.21365728  0.40920350  0.19514208  1.0
  Er  Er9  1  0.78695403  0.59189721  0.80531636  1.0
  Er  Er10  1  0.21341915  0.01836133  0.80531636  1.0
  Er  Er11  1  0.78593958  0.98148580  0.19514208  1.0
  In  In12  1  0.50003707  0.50003363  0.00007070  1.0
  Co  Co13  1  0.99939238  0.38021348  0.37960786  1.0
  Co  Co14  1  0.00018449  0.61984536  0.62002885  1.0
  Co  Co15  1  0.38888210  0.88787408  0.49959246  1.0
  Co  Co16  1  0.61171839  0.11071236  0.49959246  1.0
  Co  Co17  1  0.99925997  0.00028052  0.99954049  1.0

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