Ho3Tm7(RuRh)2

High-Entropy Materials HEA

MP-ID: mp-3294478 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho3Tm7(RuRh)2

MP-ID

mp-3294478

Elements

Sites

Density

10.0143

g/cm³

Volume

345.77

Å³

Cell a

6.2859

Cell b

7.1360

Cell c

8.3882

α Angle

96.76

β Angle

112.10

γ Angle

90.10

Space Group

Point Group

Crystal System

Triclinic

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
11.48	7.7085	1.6	(0,0,1)
15.21	5.8244	3.7	(1,0,-1)
15.23	5.8169	3.1	(1,0,0)
20.19	4.3983	14.8	(1,-1,-1)
20.24	4.3877	14.0	(1,1,0)
25.17	3.5388	6.5	(0,2,0)
26.34	3.3841	2.4	(0,2,-1)
26.74	3.3341	8.5	(1,-1,-2)
26.80	3.3267	8.8	(1,1,1)
28.40	3.1429	8.8	(2,0,-1)
28.87	3.0927	41.6	(1,-2,0)
28.91	3.0887	41.9	(1,2,-1)
29.08	3.0709	38.2	(0,2,1)
30.15	2.9639	13.0	(1,-2,-1)
30.21	2.9584	12.1	(1,2,0)
30.70	2.9122	4.4	(2,0,-2)
30.74	2.9085	4.4	(2,0,0)
31.11	2.8745	77.4	(2,-1,-1)
31.16	2.8704	76.6	(2,1,-1)
32.08	2.7902	75.7	(0,2,-2)
32.14	2.7850	45.0	(1,-2,1)
32.16	2.7837	45.8	(1,2,-2)
32.32	2.7703	100.0	(1,0,-3)
32.36	2.7663	98.9	(1,0,2)

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Energy Properties

Formation Energy/atom

-0.55592

eV/atom

Energy/atom

-32.24256

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.2426

eV/atom

Volume/atom

24.70

Å³

c/a Ratio

1.3344

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Tm · 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

1.2326

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2482

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4505

smaller = more stable mixing

VEC

11.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8892

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflms

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294478

Reference Citation

The crystal structure and related material properties of Ho3Tm7(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3294478, 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_Ho3Tm7(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28590034
_cell_length_b   7.13603700
_cell_length_c   8.38814777
_cell_angle_alpha   96.75549722
_cell_angle_beta   112.09633785
_cell_angle_gamma   90.09872871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Tm7(RuRh)2
_chemical_formula_sum   'Ho3 Tm7 Ru2 Rh2'
_cell_volume   345.77394978
_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  0.79034763  0.08393081  0.80867425  1.0
  Ho  Ho1  1  0.98058248  0.41604208  0.18987147  1.0
  Ho  Ho2  1  0.21214775  0.91425848  0.18749547  1.0
  Tm  Tm3  1  0.02440924  0.58621805  0.81312529  1.0
  Tm  Tm4  1  0.20982625  0.18386591  0.56654101  1.0
  Tm  Tm5  1  0.64443385  0.31729184  0.43393807  1.0
  Tm  Tm6  1  0.78860256  0.81199731  0.43633152  1.0
  Tm  Tm7  1  0.35152080  0.68667042  0.56430127  1.0
  Tm  Tm8  1  0.42242461  0.25025942  0.99979895  1.0
  Tm  Tm9  1  0.57682601  0.74982400  0.99973699  1.0
  Ru  Ru10  1  0.39566600  0.57240897  0.21900273  1.0
  Ru  Ru11  1  0.17635025  0.92643302  0.78002035  1.0
  Rh  Rh12  1  0.60385964  0.42700046  0.77840368  1.0
  Rh  Rh13  1  0.82300192  0.07380023  0.22275694  1.0

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