Ho16Tm4(Ir3Os)3

High-Entropy Materials HEA

MP-ID: mp-3294508 · Space group: P4 (#75)

Materials Project API

Basic Information

Formula

Ho16Tm4(Ir3Os)3

MP-ID

mp-3294508

Elements

Sites

Density

12.7708

g/cm³

Volume

730.13

Å³

Cell a

10.7117

Cell b

10.7117

Cell c

6.3633

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

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
11.68	7.5743	2.6	(1,1,0)
16.55	5.3559	8.9	(2,0,0)
23.24	3.8272	37.2	(2,1,1)
23.49	3.7872	6.2	(2,2,0)
28.04	3.1817	3.5	(0,0,2)
29.28	3.0500	13.1	(1,0,2)
29.88	2.9901	77.8	(3,1,1)
32.74	2.7354	23.5	(2,0,2)
33.28	2.6920	73.4	(3,2,1)
33.82	2.6504	84.9	(2,1,2)
35.56	2.5248	11.5	(3,3,0)
36.90	2.4361	2.4	(2,2,2)
37.39	2.4052	94.9	(4,1,1)
37.55	2.3952	100.0	(4,2,0)
37.88	2.3754	40.1	(3,0,2)
38.83	2.3191	62.6	(3,1,2)
40.23	2.2417	28.7	(4,2,1)
41.59	2.1714	25.7	(3,2,2)
43.06	2.1007	6.1	(5,1,0)
44.21	2.0488	28.6	(4,0,2)
44.63	2.0304	4.7	(4,3,1)
45.05	2.0123	2.7	(4,1,2)
45.47	1.9948	1.2	(5,1,1)
45.88	1.9777	3.7	(3,3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.82202

eV/atom

Energy/atom

-41.34625

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.3463

eV/atom

Volume/atom

22.82

Å³

c/a Ratio

0.5941

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0027

μB

Mag. Ordering

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 · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1852

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8537

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.856%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4677

smaller = more stable mixing

VEC

10.406

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflnw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294508

Reference Citation

The crystal structure and related material properties of Ho16Tm4(Ir3Os)3 were obtained from the Materials Project database (MP-ID: mp-3294508, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ho16Tm4(Ir3Os)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71169275
_cell_length_b   10.71169275
_cell_length_c   6.36333094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho16Tm4(Ir3Os)3
_chemical_formula_sum   'Ho16 Tm4 Ir9 Os3'
_cell_volume   730.13089270
_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  0.29335797  0.08599692  0.38041058  1.0
  Ho  Ho1  1  0.29335478  0.91471859  0.88092676  1.0
  Ho  Ho2  1  0.70664522  0.08528141  0.88092676  1.0
  Ho  Ho3  1  0.70664203  0.91400308  0.38041058  1.0
  Ho  Ho4  1  0.58528141  0.79335478  0.88092676  1.0
  Ho  Ho5  1  0.58599692  0.20664203  0.38041058  1.0
  Ho  Ho6  1  0.41400308  0.79335797  0.38041058  1.0
  Ho  Ho7  1  0.41471859  0.20664522  0.88092676  1.0
  Ho  Ho8  1  0.20881311  0.41382398  0.62226565  1.0
  Ho  Ho9  1  0.20774132  0.58701889  0.11781127  1.0
  Ho  Ho10  1  0.79225868  0.41298111  0.11781127  1.0
  Ho  Ho11  1  0.79118689  0.58617602  0.62226565  1.0
  Ho  Ho12  1  0.91298111  0.70774132  0.11781127  1.0
  Ho  Ho13  1  0.91382398  0.29118689  0.62226565  1.0
  Ho  Ho14  1  0.08617602  0.70881311  0.62226565  1.0
  Ho  Ho15  1  0.08701889  0.29225868  0.11781127  1.0
  Tm  Tm16  1  0.00000000  0.00000000  0.49822252  1.0
  Tm  Tm17  1  0.00000000  0.00000000  0.99852356  1.0
  Tm  Tm18  1  0.50000000  0.50000000  0.99852356  1.0
  Tm  Tm19  1  0.50000000  0.50000000  0.49822252  1.0
  Ir  Ir20  1  0.85014477  0.15265627  0.24936773  1.0
  Ir  Ir21  1  0.84891622  0.84823178  0.74903477  1.0
  Ir  Ir22  1  0.15108378  0.15176822  0.74903477  1.0
  Ir  Ir23  1  0.14985523  0.84734373  0.24936773  1.0
  Ir  Ir24  1  0.65176822  0.34891622  0.74903477  1.0
  Ir  Ir25  1  0.65265627  0.64985523  0.24936773  1.0
  Ir  Ir26  1  0.34734373  0.35014477  0.24936773  1.0
  Ir  Ir27  1  0.34823178  0.65108378  0.74903477  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37526026  1.0
  Os  Os29  1  0.50000000  0.00000000  0.13029547  1.0
  Os  Os30  1  0.50000000  0.00000000  0.62938260  1.0
  Os  Os31  1  0.00000000  0.50000000  0.87230246  1.0

Get direct link