Ho8Er2OsRu3

高熵材料 HEA

MP-ID: mp-3295433 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho8Er2OsRu3

MP-ID

mp-3295433

Elements

Sites

Density

10.1642

g/cm³

Volume

350.82

Å³

Cell a

6.2907

Cell b

7.2366

Cell c

8.3828

α Angle

96.86

β Angle

112.01

γ Angle

90.07

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	7.7065	11.3	(0,0,1)
12.33	7.1758	4.4	(0,1,0)
15.21	5.8249	8.9	(1,0,0)
15.21	5.8237	3.0	(1,0,-1)
15.75	5.6272	2.7	(0,1,-1)
17.95	4.9425	2.0	(0,1,1)
19.14	4.6373	2.6	(1,-1,0)
19.16	4.6315	1.9	(1,1,-1)
20.09	4.4197	25.5	(1,-1,-1)
20.11	4.4158	27.7	(1,1,0)
22.35	3.9786	1.3	(1,0,-2)
23.08	3.8533	3.9	(0,0,2)
24.82	3.5879	5.0	(0,2,0)
26.68	3.3415	4.7	(1,-1,-2)
26.69	3.3403	7.3	(1,1,1)
28.38	3.1454	4.2	(2,0,-1)
28.56	3.1254	43.6	(1,-2,0)
28.59	3.1220	37.2	(1,2,-1)
28.77	3.1027	31.1	(0,2,1)
29.87	2.9915	20.4	(1,-2,-1)
29.89	2.9889	8.1	(1,2,0)
30.70	2.9125	3.0	(2,0,0)
30.70	2.9118	4.8	(2,0,-2)
31.03	2.8820	66.8	(2,-1,-1)

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Energy Properties

Formation Energy/atom

-0.39185

eV/atom

Energy/atom

-33.26045

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.2605

eV/atom

Volume/atom

25.06

Å³

c/a Ratio

1.3326

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0014

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 · 0.571

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.270%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4373

smaller = more stable mixing

VEC

10.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295433

Reference Citation

The crystal structure and related material properties of Ho8Er2OsRu3 were obtained from the Materials Project database (MP-ID: mp-3295433, 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_Ho8Er2OsRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29071641
_cell_length_b   7.23655573
_cell_length_c   8.38281233
_cell_angle_alpha   96.86134823
_cell_angle_beta   112.01087716
_cell_angle_gamma   90.07020845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Er2OsRu3
_chemical_formula_sum   'Ho8 Er2 Os1 Ru3'
_cell_volume   350.82439572
_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  0.79385623  0.58431861  0.81320794  1.0
  Ho  Ho1  1  0.97684032  0.91286128  0.18206638  1.0
  Ho  Ho2  1  0.20570766  0.41359775  0.18602324  1.0
  Ho  Ho3  1  0.02223075  0.08677395  0.81407449  1.0
  Ho  Ho4  1  0.20902631  0.68521485  0.56842107  1.0
  Ho  Ho5  1  0.64040524  0.81763682  0.43407611  1.0
  Ho  Ho6  1  0.79272063  0.31569493  0.43182202  1.0
  Ho  Ho7  1  0.35808086  0.18306635  0.56656417  1.0
  Er  Er8  1  0.42217524  0.75025153  0.99986059  1.0
  Er  Er9  1  0.57816327  0.24994298  0.99976119  1.0
  Os  Os10  1  0.60498476  0.92351310  0.78192905  1.0
  Ru  Ru11  1  0.82556175  0.57627843  0.22238165  1.0
  Ru  Ru12  1  0.39474203  0.07695386  0.22101407  1.0
  Ru  Ru13  1  0.17550595  0.42389655  0.77880003  1.0

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