Ho2AlOs2Ru

高熵材料 HEA

MP-ID: mp-3293994 · Space group: Ama2 (#40)

Materials Project API

Basic Information

Formula

Ho2AlOs2Ru

MP-ID

mp-3293994

Elements

Sites

Density

13.0878

g/cm³

Volume

212.74

Å³

Cell a

5.2770

Cell b

5.2421

Cell c

8.8609

α Angle

90.00

β Angle

90.00

γ Angle

119.78

Space Group

Ama2

Point Group

mm2

Crystal System

Orthorhombic

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
19.38	4.5801	4.8	(1,0,0)
19.51	4.5497	22.3	(1,-1,0)
19.51	4.5497	22.3	(0,1,0)
20.04	4.4304	4.4	(0,0,2)
21.84	4.0687	8.3	(1,0,1)
21.96	4.0474	19.3	(1,-1,1)
21.96	4.0474	19.3	(0,1,1)
28.11	3.1741	45.4	(1,-1,2)
33.98	2.6384	17.4	(2,-1,0)
33.98	2.6384	17.4	(1,1,0)
34.21	2.6210	45.6	(1,-2,0)
35.50	2.5287	13.2	(2,-1,1)
35.50	2.5287	13.2	(1,1,1)
36.19	2.4822	43.7	(1,0,3)
36.26	2.4774	92.9	(1,-1,3)
36.26	2.4774	92.9	(0,1,3)
39.34	2.2900	10.4	(2,0,0)
39.62	2.2749	14.1	(2,-2,0)
39.62	2.2749	14.1	(0,2,0)
39.76	2.2669	100.0	(2,-1,2)
39.76	2.2669	100.0	(1,1,2)
39.97	2.2558	48.2	(1,-2,2)
40.69	2.2172	76.2	(2,0,1)
40.73	2.2152	44.4	(0,0,4)

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Energy Properties

Formation Energy/atom

-0.55101

eV/atom

Energy/atom

-34.53264

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.5326

eV/atom

Volume/atom

17.73

Å³

c/a Ratio

1.6792

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0019

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

10.4206

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.223%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4403

smaller = more stable mixing

VEC

8.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.408

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkuc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293994

Reference Citation

The crystal structure and related material properties of Ho2AlOs2Ru were obtained from the Materials Project database (MP-ID: mp-3293994, 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_Ho2AlOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27699783
_cell_length_b   5.24207669
_cell_length_c   8.86086019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.78135202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2AlOs2Ru
_chemical_formula_sum   'Ho4 Al2 Os4 Ru2'
_cell_volume   212.74014342
_cell_formula_units_Z   2
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  0.33220715  0.66835666  0.06251429  1.0
  Ho  Ho1  1  0.66779285  0.33614751  0.56251429  1.0
  Ho  Ho2  1  0.33220715  0.66835666  0.43748571  1.0
  Ho  Ho3  1  0.66779285  0.33614751  0.93748571  1.0
  Al  Al4  1  0.83702478  0.16799182  0.25000000  1.0
  Al  Al5  1  0.16297522  0.33096803  0.75000000  1.0
  Os  Os6  1  0.82819002  0.66102571  0.25000000  1.0
  Os  Os7  1  0.17180998  0.83283769  0.75000000  1.0
  Os  Os8  1  0.64747350  0.83039959  0.75000000  1.0
  Os  Os9  1  0.35252650  0.18292409  0.25000000  1.0
  Ru  Ru10  1  1.00000000  0.99242387  0.50000000  1.0
  Ru  Ru11  1  1.00000000  0.99242387  0.00000000  1.0

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