Sr2HoRuO6

High-Entropy Materials HEA Elasticity Data ELA

MP-ID: mp-6676 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Sr2HoRuO6

MP-ID

mp-6676

Elements

Sites

Density

6.3678

g/cm³

Volume

280.19

Å³

Cell a

5.8629

Cell b

5.8052

Cell c

10.0431

α Angle

55.06

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
18.58	4.7756	4.8	(1,0,1)
18.65	4.7586	1.3	(0,1,0)
18.76	4.7300	3.2	(0,1,2)
21.54	4.1251	22.4	(1,1,1)
21.59	4.1162	10.1	(0,0,2)
24.09	3.6947	1.7	(1,1,0)
24.18	3.6813	1.7	(1,1,2)
30.49	2.9315	48.6	(2,0,0)
30.61	2.9204	100.0	(1,1,-1)
30.76	2.9071	99.1	(1,1,3)
30.81	2.9026	48.4	(0,2,2)
32.42	2.7616	2.0	(2,0,1)
35.98	2.4959	2.7	(2,1,0)
36.14	2.4854	1.5	(1,0,3)
36.15	2.4845	4.7	(1,2,1)
36.30	2.4748	2.5	(0,1,4)
43.90	2.0626	54.1	(2,2,2)
44.00	2.0581	28.5	(0,0,4)
45.26	2.0033	1.6	(2,0,3)
45.28	2.0029	1.2	(2,2,1)
45.38	1.9986	1.2	(2,2,3)
47.97	1.8965	1.9	(2,1,-2)
48.35	1.8825	1.9	(1,2,5)
49.19	1.8522	4.2	(3,1,1)

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Energy Properties

Formation Energy/atom

-2.86698

eV/atom

Energy/atom

-7.56145

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.1493

eV/atom

Volume/atom

14.01

Å³

c/a Ratio

1.7130

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.9993

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.021410

μB/Å³

Elastic Properties

K_VRH

137.633

GPa

G_VRH

68.552

GPa

Young's Modulus E

176.373

GPa

Poisson Ratio ν

0.286

Pugh Ratio K/G

2.008

Vickers Hardness Est.

7.494

GPa

Ductility

Brittle

Anisotropy

0.311

Lame λ

91.932

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0889

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0531

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

56.053%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0824

smaller = more stable mixing

VEC

4.700

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7855

SS Former

Phase Tendency

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3110

Homogeneous Poisson ν

0.2860

Debye Temperature

788.3

Sound Velocity

3,658.7

m/s

Homogeneity

0.2860

Related Tasks

Related computation task IDs (5)

aaadnfyd aaadtfhq aaaefltt aaaerujt aaafspxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6676

Reference Citation

The crystal structure and related material properties of Sr2HoRuO6 were obtained from the Materials Project database (MP-ID: mp-6676, 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_Sr2HoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86291100
_cell_length_b   5.80520900
_cell_length_c   10.04311277
_cell_angle_alpha   55.05516692
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HoRuO6
_chemical_formula_sum   'Sr4 Ho2 Ru2 O12'
_cell_volume   280.19250735
_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
  Sr  Sr0  1  0.03573800  0.24111300  0.75065000  1.0
  Sr  Sr1  1  0.53573800  0.75888700  0.74935000  1.0
  Sr  Sr2  1  0.46426200  0.24111300  0.25065000  1.0
  Sr  Sr3  1  0.96426200  0.75888700  0.24935000  1.0
  Ho  Ho4  1  0.50000000  0.50000000  0.50000000  1.0
  Ho  Ho5  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru6  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.01886500  0.30860300  0.26520800  1.0
  O  O9  1  0.51886500  0.69139700  0.23479200  1.0
  O  O10  1  0.98113500  0.69139700  0.73479200  1.0
  O  O11  1  0.48113500  0.30860300  0.76520800  1.0
  O  O12  1  0.72819200  0.84215700  0.45977200  1.0
  O  O13  1  0.22819200  0.15784300  0.04022800  1.0
  O  O14  1  0.27180800  0.15784300  0.54022800  1.0
  O  O15  1  0.77180800  0.84215700  0.95977200  1.0
  O  O16  1  0.29920200  0.76778100  0.96177700  1.0
  O  O17  1  0.79920200  0.23221900  0.53822300  1.0
  O  O18  1  0.70079800  0.23221900  0.03822300  1.0
  O  O19  1  0.20079800  0.76778100  0.46177700  1.0

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