Dy8Ho2OsRu3

高熵材料 HEA

MP-ID: mp-3295400 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy8Ho2OsRu3

MP-ID

mp-3295400

Elements

Sites

Density

9.9140

g/cm³

Volume

355.64

Å³

Cell a

6.3276

Cell b

7.2419

Cell c

8.4392

α Angle

96.78

β Angle

112.00

γ Angle

89.96

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
11.40	7.7611	11.5	(0,0,1)
12.32	7.1832	4.5	(0,1,0)
15.12	5.8601	3.1	(1,0,0)
15.12	5.8588	9.2	(1,0,-1)
15.71	5.6411	2.7	(0,1,-1)
17.86	4.9666	2.0	(0,1,1)
19.08	4.6523	2.7	(1,1,-1)
19.09	4.6497	1.9	(1,-1,0)
20.00	4.4391	26.3	(1,1,0)
20.02	4.4357	28.8	(1,-1,-1)
22.19	4.0061	1.3	(1,0,1)
22.92	3.8805	4.2	(0,0,2)
24.79	3.5916	4.9	(0,2,0)
26.52	3.3616	4.6	(1,1,1)
26.53	3.3596	6.9	(1,-1,-2)
28.21	3.1638	3.9	(2,0,-1)
28.51	3.1306	42.8	(1,2,-1)
28.53	3.1288	36.7	(1,-2,0)
28.68	3.1123	30.8	(0,2,1)
29.78	2.9997	20.5	(1,2,0)
29.80	2.9977	8.6	(1,-2,-1)
30.51	2.9301	5.0	(2,0,0)
30.52	2.9294	2.8	(2,0,-2)
30.87	2.8962	67.0	(2,1,-1)

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Energy Properties

Formation Energy/atom

-0.37749

eV/atom

Energy/atom

-32.58291

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.5829

eV/atom

Volume/atom

25.40

Å³

c/a Ratio

1.3337

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

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

Dy · 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

0.4418

smaller = more stable mixing

VEC

9.571

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)

aaahfmwe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295400

Reference Citation

The crystal structure and related material properties of Dy8Ho2OsRu3 were obtained from the Materials Project database (MP-ID: mp-3295400, 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_Dy8Ho2OsRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32758749
_cell_length_b   7.24189040
_cell_length_c   8.43921095
_cell_angle_alpha   96.78030827
_cell_angle_beta   112.00367145
_cell_angle_gamma   89.95920680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy8Ho2OsRu3
_chemical_formula_sum   'Dy8 Ho2 Os1 Ru3'
_cell_volume   355.64172860
_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
  Dy  Dy0  1  0.98003338  0.91541008  0.18630420  1.0
  Dy  Dy1  1  0.79431380  0.58650459  0.81720030  1.0
  Dy  Dy2  1  0.02036896  0.08652026  0.81437593  1.0
  Dy  Dy3  1  0.20832010  0.41392781  0.18635057  1.0
  Dy  Dy4  1  0.64084866  0.81412185  0.43212676  1.0
  Dy  Dy5  1  0.20594781  0.68353711  0.56573527  1.0
  Dy  Dy6  1  0.36061632  0.18495988  0.56759144  1.0
  Dy  Dy7  1  0.79196111  0.31578146  0.43362797  1.0
  Ho  Ho8  1  0.42301801  0.74964106  0.00013622  1.0
  Ho  Ho9  1  0.57774824  0.25024369  0.00017920  1.0
  Os  Os10  1  0.82276334  0.57600643  0.21832788  1.0
  Ru  Ru11  1  0.60450406  0.92405702  0.77783415  1.0
  Ru  Ru12  1  0.17395555  0.42335123  0.77900078  1.0
  Ru  Ru13  1  0.39559865  0.07593853  0.22121132  1.0

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