La8Ho2Ru3Rh

高熵材料 HEA

MP-ID: mp-3295108 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La8Ho2Ru3Rh

MP-ID

mp-3295108

Elements

Sites

Density

7.5271

g/cm³

Volume

407.51

Å³

Cell a

6.7616

Cell b

7.1438

Cell c

9.1200

α Angle

93.70

β Angle

111.98

γ Angle

89.98

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
10.49	8.4365	24.5	(0,0,1)
14.09	6.2848	9.2	(1,0,-1)
14.13	6.2680	10.3	(1,0,0)
19.07	4.6542	26.4	(1,-1,-1)
19.10	4.6475	24.0	(1,1,0)
21.06	4.2183	2.0	(0,0,2)
24.61	3.6169	3.4	(1,-1,-2)
24.68	3.6074	2.3	(1,1,1)
24.99	3.5633	9.3	(0,2,0)
26.36	3.3808	5.1	(2,0,-1)
26.47	3.3674	5.4	(0,2,-1)
27.85	3.2037	20.9	(0,2,1)
28.40	3.1424	1.3	(2,0,-2)
28.47	3.1348	28.5	(1,2,-1)
28.48	3.1340	2.3	(2,0,0)
28.49	3.1326	30.4	(1,-2,0)
29.13	3.0658	9.3	(1,-2,-1)
29.15	3.0640	10.7	(1,2,0)
29.24	3.0545	70.4	(2,1,-1)
29.24	3.0545	71.8	(2,-1,-1)
29.54	3.0241	95.9	(1,0,-3)
29.63	3.0148	100.0	(1,0,2)
30.80	2.9032	32.4	(2,1,-2)
30.87	2.8965	31.0	(2,-1,0)

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Energy Properties

Formation Energy/atom

-0.38865

eV/atom

Energy/atom

-29.25513

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.2551

eV/atom

Volume/atom

29.11

Å³

c/a Ratio

1.3488

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0507

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000120

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.8038

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.238%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4965

smaller = more stable mixing

VEC

5.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.028

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmky

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295108

Reference Citation

The crystal structure and related material properties of La8Ho2Ru3Rh were obtained from the Materials Project database (MP-ID: mp-3295108, 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_La8Ho2Ru3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76159140
_cell_length_b   7.14378148
_cell_length_c   9.11996235
_cell_angle_alpha   93.70072979
_cell_angle_beta   111.98183442
_cell_angle_gamma   89.98229682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8Ho2Ru3Rh
_chemical_formula_sum   'La8 Ho2 Ru3 Rh1'
_cell_volume   407.51232987
_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
  La  La0  1  0.97701530  0.90505896  0.17900304  1.0
  La  La1  1  0.79111541  0.60187487  0.81680879  1.0
  La  La2  1  0.02863125  0.10078721  0.81661385  1.0
  La  La3  1  0.21121842  0.40001558  0.18077830  1.0
  La  La4  1  0.63445092  0.82025030  0.42434503  1.0
  La  La5  1  0.21684053  0.68092013  0.57995056  1.0
  La  La6  1  0.36166547  0.18197670  0.57584085  1.0
  La  La7  1  0.78717920  0.31733700  0.42625020  1.0
  Ho  Ho8  1  0.43309623  0.75028846  0.00015698  1.0
  Ho  Ho9  1  0.56588839  0.24800425  0.99859807  1.0
  Ru  Ru10  1  0.61634765  0.92162607  0.78914939  1.0
  Ru  Ru11  1  0.17319006  0.42421711  0.78263265  1.0
  Ru  Ru12  1  0.38711257  0.07648688  0.21525147  1.0
  Rh  Rh13  1  0.81624862  0.57115350  0.21462281  1.0

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