Ho7Tm(ThRh)6

High-Entropy Materials HEA

MP-ID: mp-3292237 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ho7Tm(ThRh)6

MP-ID

mp-3292237

Elements

Sites

Density

10.6100

g/cm³

Volume

521.66

Å³

Cell a

9.7846

Cell b

9.6866

Cell c

6.3770

α Angle

89.93

β Angle

90.00

γ Angle

120.34

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
10.58	8.3604	3.7	(0,1,0)
17.42	5.0908	2.1	(1,-1,-1)
17.43	5.0873	7.7	(1,-1,1)
17.50	5.0670	1.3	(0,1,-1)
18.13	4.8923	4.8	(2,-1,0)
18.32	4.8430	3.9	(1,-2,0)
21.04	4.2225	7.5	(2,-2,0)
21.25	4.1802	1.2	(0,2,0)
23.05	3.8591	1.5	(1,-2,-1)
25.29	3.5218	11.9	(2,-2,-1)
25.31	3.5195	9.4	(2,-2,1)
25.46	3.4983	7.0	(0,2,1)
25.50	3.4938	6.6	(0,2,-1)
27.87	3.2012	22.1	(3,-2,0)
27.98	3.1885	14.6	(0,0,2)
28.08	3.1781	18.3	(2,-3,0)
28.20	3.1644	17.1	(1,-3,0)
29.95	2.9837	54.4	(1,-1,-2)
29.96	2.9823	59.5	(1,-1,2)
29.98	2.9806	32.4	(0,1,2)
30.01	2.9778	30.8	(0,1,-2)
31.26	2.8613	49.4	(3,-2,-1)
31.27	2.8607	51.7	(3,-2,1)
31.44	2.8456	54.9	(2,-3,-1)

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Energy Properties

Formation Energy/atom

-0.66615

eV/atom

Energy/atom

-43.21412

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.2141

eV/atom

Volume/atom

26.08

Å³

c/a Ratio

0.6517

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6097

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001170

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.350

Element Family

Lanthanide

Solute Fraction

0.650

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2396

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3061

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.106%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4676

smaller = more stable mixing

VEC

7.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8942

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfien

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292237

Reference Citation

The crystal structure and related material properties of Ho7Tm(ThRh)6 were obtained from the Materials Project database (MP-ID: mp-3292237, 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_Ho7Tm(ThRh)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78458743
_cell_length_b   9.68662461
_cell_length_c   6.37698372
_cell_angle_alpha   89.93096138
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.33510985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho7Tm(ThRh)6
_chemical_formula_sum   'Ho7 Tm1 Th6 Rh6'
_cell_volume   521.65582012
_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  0.87215045  0.74430191  0.73610416  1.0
  Ho  Ho1  1  0.53944144  0.46427212  0.44474314  1.0
  Ho  Ho2  1  0.92483168  0.46427212  0.44474314  1.0
  Ho  Ho3  1  0.53702403  0.07404706  0.44308812  1.0
  Ho  Ho4  1  0.46212534  0.53994556  0.94003853  1.0
  Ho  Ho5  1  0.07781822  0.53994556  0.94003853  1.0
  Ho  Ho6  1  0.46069353  0.92138907  0.94061117  1.0
  Tm  Tm7  1  0.33277276  0.66554752  0.46655246  1.0
  Th  Th8  1  0.66718491  0.33436881  0.96969943  1.0
  Th  Th9  1  0.12801277  0.86970189  0.23835098  1.0
  Th  Th10  1  0.74168912  0.86970189  0.23835098  1.0
  Th  Th11  1  0.12986761  0.25973421  0.23715494  1.0
  Th  Th12  1  0.86908722  0.12425400  0.73394585  1.0
  Th  Th13  1  0.25516679  0.12425400  0.73394585  1.0
  Rh  Rh14  1  0.81375741  0.18496777  0.19891787  1.0
  Rh  Rh15  1  0.37120836  0.18496777  0.19891787  1.0
  Rh  Rh16  1  0.81450585  0.62901270  0.20102404  1.0
  Rh  Rh17  1  0.19260801  0.81996154  0.69669048  1.0
  Rh  Rh18  1  0.62735453  0.81996154  0.69669048  1.0
  Rh  Rh19  1  0.18269697  0.36539295  0.70393395  1.0

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