Ho7Lu3(RuRh)2

高熵材料 HEA

MP-ID: mp-3293841 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho7Lu3(RuRh)2

MP-ID

mp-3293841

Elements

Sites

Density

9.9939

g/cm³

Volume

346.83

Å³

Cell a

6.3191

Cell b

7.1237

Cell c

8.3895

α Angle

96.66

β Angle

112.24

γ Angle

89.96

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
11.49	7.7046	4.7	(0,0,1)
15.14	5.8505	3.6	(1,0,-1)
15.16	5.8426	6.1	(1,0,0)
20.16	4.4045	13.4	(1,-1,-1)
20.17	4.4026	14.3	(1,1,0)
25.20	3.5339	6.4	(0,2,0)
26.40	3.3761	2.3	(0,2,-1)
26.71	3.3379	8.1	(1,-1,-2)
26.74	3.3342	7.9	(1,1,1)
28.25	3.1595	9.0	(2,0,-1)
28.88	3.0910	42.7	(1,2,-1)
28.91	3.0889	43.2	(1,-2,0)
29.09	3.0700	36.9	(0,2,1)
30.16	2.9629	11.8	(1,-2,-1)
30.17	2.9627	14.4	(1,2,0)
30.56	2.9252	4.2	(2,0,-2)
30.60	2.9213	4.7	(2,0,0)
31.00	2.8848	75.3	(2,1,-1)
31.01	2.8840	76.6	(2,-1,-1)
32.16	2.7833	75.7	(0,2,-2)
32.16	2.7832	45.1	(1,2,-2)
32.20	2.7800	39.3	(1,-2,1)
32.29	2.7721	96.9	(1,0,-3)
32.34	2.7679	100.0	(1,0,2)

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Energy Properties

Formation Energy/atom

-0.55277

eV/atom

Energy/atom

-32.23353

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.2335

eV/atom

Volume/atom

24.77

Å³

c/a Ratio

1.3277

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

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

0.4516

smaller = more stable mixing

VEC

8.357

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)

aaahfkof

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293841

Reference Citation

The crystal structure and related material properties of Ho7Lu3(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3293841, 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_Ho7Lu3(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31907233
_cell_length_b   7.12372485
_cell_length_c   8.38950192
_cell_angle_alpha   96.65961655
_cell_angle_beta   112.23680470
_cell_angle_gamma   89.96476870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho7Lu3(RuRh)2
_chemical_formula_sum   'Ho7 Lu3 Ru2 Rh2'
_cell_volume   346.82558030
_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  0.52470579  0.08201489  0.81517920  1.0
  Ho  Ho1  1  0.47401372  0.91627034  0.18482385  1.0
  Ho  Ho2  1  0.71294781  0.41491212  0.18805713  1.0
  Ho  Ho3  1  0.28852155  0.58688248  0.81025975  1.0
  Ho  Ho4  1  0.28333981  0.31134675  0.43388164  1.0
  Ho  Ho5  1  0.71478686  0.68760229  0.56612608  1.0
  Ho  Ho6  1  0.85388853  0.18323788  0.56345264  1.0
  Lu  Lu7  1  0.14368613  0.81701050  0.43454465  1.0
  Lu  Lu8  1  0.07561841  0.24864306  0.99887457  1.0
  Lu  Lu9  1  0.92658329  0.75206407  0.00193290  1.0
  Ru  Ru10  1  0.10746527  0.92711572  0.78265287  1.0
  Ru  Ru11  1  0.89322702  0.07153481  0.21490561  1.0
  Rh  Rh12  1  0.32123873  0.57207706  0.22164582  1.0
  Rh  Rh13  1  0.67997607  0.42928904  0.78366329  1.0

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