Ho3Tm9Os3Rh

High-Entropy Materials HEA

MP-ID: mp-3296634 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho3Tm9Os3Rh

MP-ID

mp-3296634

Elements

Sites

Density

11.0312

g/cm³

Volume

404.75

Å³

Cell a

7.2620

Cell b

8.9202

Cell c

6.2482

α Angle

90.00

β Angle

89.93

γ Angle

90.00

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
9.92	8.9202	4.1	(0,1,0)
12.19	7.2620	1.6	(1,0,0)
14.17	6.2482	1.7	(0,0,1)
15.74	5.6317	2.7	(1,1,0)
17.33	5.1176	6.4	(0,1,1)
18.72	4.7393	13.6	(1,0,1)
18.75	4.7334	10.4	(1,0,-1)
19.91	4.4601	12.8	(0,2,0)
21.23	4.1853	15.6	(1,1,1)
21.25	4.1812	18.8	(1,1,-1)
24.52	3.6310	1.2	(2,0,0)
27.46	3.2480	2.5	(1,2,1)
27.48	3.2461	3.0	(1,2,-1)
28.41	3.1411	13.6	(2,0,1)
28.45	3.1377	13.7	(2,0,-1)
30.16	2.9628	35.2	(2,1,1)
30.19	2.9599	21.9	(2,1,-1)
31.15	2.8711	24.4	(1,0,2)
31.18	2.8685	33.5	(1,0,-2)
31.78	2.8159	84.3	(2,2,0)
32.77	2.7330	56.2	(1,1,2)
32.80	2.7308	63.8	(1,1,-2)
33.37	2.6849	100.0	(0,3,1)
34.94	2.5681	50.9	(2,2,1)

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Energy Properties

Formation Energy/atom

-0.42509

eV/atom

Energy/atom

-37.78917

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.7892

eV/atom

Volume/atom

25.30

Å³

c/a Ratio

0.8604

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0050

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.563

Element Family

Lanthanide

Solute Fraction

0.438

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1247

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3505

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.568%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4226

smaller = more stable mixing

VEC

11.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8113

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahforq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296634

Reference Citation

The crystal structure and related material properties of Ho3Tm9Os3Rh were obtained from the Materials Project database (MP-ID: mp-3296634, 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…

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Raw CIF Data

# generated using pymatgen
data_Ho3Tm9Os3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26204497
_cell_length_b   8.92018148
_cell_length_c   6.24817636
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.92844719
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Tm9Os3Rh
_chemical_formula_sum   'Ho3 Tm9 Os3 Rh1'
_cell_volume   404.74879583
_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  0.04062542  0.25000000  0.62405261  1.0
  Ho  Ho1  1  0.96135378  0.75000000  0.37740567  1.0
  Ho  Ho2  1  0.53917890  0.25000000  0.87414314  1.0
  Tm  Tm3  1  0.46079392  0.75000000  0.12670725  1.0
  Tm  Tm4  1  0.17150368  0.05990458  0.16606682  1.0
  Tm  Tm5  1  0.82537500  0.93720399  0.83034345  1.0
  Tm  Tm6  1  0.32553159  0.93355664  0.67472750  1.0
  Tm  Tm7  1  0.82537500  0.56279601  0.83034345  1.0
  Tm  Tm8  1  0.67578377  0.06087124  0.32970175  1.0
  Tm  Tm9  1  0.17150368  0.44009542  0.16606682  1.0
  Tm  Tm10  1  0.67578377  0.43912876  0.32970175  1.0
  Tm  Tm11  1  0.32553159  0.56644336  0.67472750  1.0
  Os  Os12  1  0.61519073  0.75000000  0.53613411  1.0
  Os  Os13  1  0.11678061  0.75000000  0.96542392  1.0
  Os  Os14  1  0.88386395  0.25000000  0.03700998  1.0
  Rh  Rh15  1  0.38582261  0.25000000  0.45744527  1.0

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