Dy3Ho(MnOs)4

高熵材料 HEA

MP-ID: mp-3293706 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Dy3Ho(MnOs)4

MP-ID

mp-3293706

Elements

Sites

Density

12.6326

g/cm³

Volume

214.67

Å³

Cell a

5.3453

Cell b

5.1750

Cell c

9.3907

α Angle

74.01

β Angle

88.66

γ Angle

118.95

Space Group

Point Group

Crystal System

Monoclinic

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
20.02	4.4345	19.2	(0,0,2)
20.04	4.4315	18.9	(1,0,1)
20.76	4.2778	21.6	(0,1,0)
23.40	3.8009	32.8	(1,0,-1)
32.82	2.7285	83.7	(1,0,3)
33.54	2.6719	48.3	(0,1,-2)
33.56	2.6706	48.3	(2,-1,0)
39.15	2.3008	18.4	(1,-1,3)
39.15	2.3008	18.4	(0,1,4)
39.17	2.3000	18.3	(2,-1,2)
39.17	2.3000	18.3	(1,1,3)
39.19	2.2989	59.0	(1,0,-3)
39.21	2.2976	58.8	(2,0,0)
39.60	2.2758	30.2	(1,1,-1)
40.36	2.2349	49.9	(1,-2,1)
40.36	2.2349	49.9	(1,-2,-3)
40.36	2.2345	100.0	(2,-2,0)
40.69	2.2172	29.8	(0,0,4)
40.72	2.2158	30.1	(2,0,2)
42.25	2.1389	62.8	(0,2,0)
47.86	1.9005	2.3	(2,0,-2)
48.49	1.8775	2.2	(2,-2,2)
48.49	1.8775	2.2	(0,2,4)
51.66	1.7693	1.7	(1,0,5)

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Energy Properties

Formation Energy/atom

-0.19807

eV/atom

Energy/atom

-33.48982

eV/atom

Energy above Hull

0.1104

eV/atom

Uncorrected Energy

-33.4898

eV/atom

Volume/atom

17.89

Å³

c/a Ratio

1.7568

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.2441

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.029090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

2.6505

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.415%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4062

smaller = more stable mixing

VEC

8.417

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.765

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkja

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293706

Reference Citation

The crystal structure and related material properties of Dy3Ho(MnOs)4 were obtained from the Materials Project database (MP-ID: mp-3293706, 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_Dy3Ho(MnOs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34526842
_cell_length_b   5.17495761
_cell_length_c   9.39068579
_cell_angle_alpha   74.00600808
_cell_angle_beta   88.65628596
_cell_angle_gamma   118.95149738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Ho(MnOs)4
_chemical_formula_sum   'Dy3 Ho1 Mn4 Os4'
_cell_volume   214.66859490
_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  0.38177495  0.75460600  0.87256194  1.0
  Dy  Dy1  1  0.99324348  0.99530791  0.00262666  1.0
  Dy  Dy2  1  0.49332013  0.99553503  0.50225008  1.0
  Ho  Ho3  1  0.88178765  0.75462033  0.37254699  1.0
  Mn  Mn4  1  0.18760046  0.37510576  0.43738894  1.0
  Mn  Mn5  1  0.68743045  0.37493310  0.93756425  1.0
  Mn  Mn6  1  0.93750011  0.37483137  0.18783536  1.0
  Mn  Mn7  1  0.43755756  0.37519319  0.68717118  1.0
  Os  Os8  1  0.43750282  0.37469875  0.18794058  1.0
  Os  Os9  1  0.93739028  0.37522560  0.68708622  1.0
  Os  Os10  1  0.43750282  0.87486349  0.18794058  1.0
  Os  Os11  1  0.93739028  0.87507847  0.68708622  1.0

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