Dy10Ir3Os

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295791 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy10Ir3Os

MP-ID

mp-3295791

Elements

Sites

Density

10.9949

g/cm³

Volume

361.24

Å³

Cell a

6.4942

Cell b

7.1920

Cell c

8.4563

α Angle

96.25

β Angle

112.91

γ Angle

90.04

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
11.44	7.7344	14.6	(0,0,1)
14.76	6.0005	6.3	(1,0,-1)
14.83	5.9752	6.3	(1,0,0)
18.89	4.6984	1.3	(1,1,-1)
18.91	4.6928	1.1	(1,-1,0)
19.74	4.4964	76.2	(1,-1,-1)
19.82	4.4800	74.7	(1,1,0)
23.00	3.8672	17.5	(0,0,2)
24.25	3.6709	14.9	(1,1,-2)
24.34	3.6567	13.9	(1,-1,1)
26.22	3.3987	3.5	(0,2,-1)
28.51	3.1307	38.4	(1,-2,0)
28.51	3.1305	36.9	(1,2,-1)
28.75	3.1049	14.4	(0,2,1)
29.68	3.0101	9.5	(1,-2,-1)
29.75	3.0034	9.8	(1,2,0)
29.78	3.0002	8.6	(2,0,-2)
29.91	2.9876	9.4	(2,0,0)
30.22	2.9575	62.0	(2,-1,-1)
30.25	2.9542	62.3	(2,1,-1)
31.83	2.8112	45.5	(2,1,-2)
31.85	2.8098	46.5	(1,2,-2)
31.91	2.8048	42.8	(1,-2,1)
31.92	2.8036	44.5	(2,-1,0)

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Energy Properties

Formation Energy/atom

-0.65433

eV/atom

Energy/atom

-38.50300

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.5030

eV/atom

Volume/atom

25.80

Å³

c/a Ratio

1.3021

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1517

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000420

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.827%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4427

smaller = more stable mixing

VEC

9.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnlf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295791

Reference Citation

The crystal structure and related material properties of Dy10Ir3Os were obtained from the Materials Project database (MP-ID: mp-3295791, 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_Dy10Ir3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49416477
_cell_length_b   7.19201472
_cell_length_c   8.45631458
_cell_angle_alpha   96.24695630
_cell_angle_beta   112.91091203
_cell_angle_gamma   90.04465473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10Ir3Os
_chemical_formula_sum   'Dy10 Ir3 Os1'
_cell_volume   361.24185090
_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  0.78772775  0.08421458  0.81537928  1.0
  Dy  Dy1  1  0.96881819  0.41591587  0.17817605  1.0
  Dy  Dy2  1  0.20972943  0.91545589  0.18300932  1.0
  Dy  Dy3  1  0.02715765  0.58364171  0.81578432  1.0
  Dy  Dy4  1  0.21787737  0.18215208  0.56104553  1.0
  Dy  Dy5  1  0.65432627  0.31959695  0.44160079  1.0
  Dy  Dy6  1  0.78602311  0.81938944  0.43968387  1.0
  Dy  Dy7  1  0.34697183  0.67922693  0.56141849  1.0
  Dy  Dy8  1  0.42823775  0.24992964  0.99983464  1.0
  Dy  Dy9  1  0.57146878  0.74933460  0.99923891  1.0
  Ir  Ir10  1  0.82748801  0.07190773  0.22048437  1.0
  Ir  Ir11  1  0.39032444  0.57309478  0.21839382  1.0
  Ir  Ir12  1  0.17153385  0.92793322  0.78044337  1.0
  Os  Os13  1  0.61231358  0.42820757  0.78550723  1.0

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