Y4Lu4OsPt3

高熵材料 HEA

MP-ID: mp-3293328 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y4Lu4OsPt3

MP-ID

mp-3293328

Elements

Sites

Density

10.6833

g/cm³

Volume

284.59

Å³

Cell a

4.6046

Cell b

7.1128

Cell c

8.6931

α Angle

88.32

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

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
15.87	5.5835	6.8	(0,1,1)
16.34	5.4251	9.5	(0,1,-1)
20.44	4.3447	21.3	(0,0,2)
21.84	4.0687	33.6	(1,0,1)
23.68	3.7567	5.5	(0,1,2)
24.32	3.6598	3.9	(0,1,-2)
25.05	3.5549	19.8	(0,2,0)
25.07	3.5524	2.9	(1,1,1)
25.37	3.5106	2.9	(1,1,-1)
26.82	3.3246	3.6	(0,2,1)
27.38	3.2569	2.8	(0,2,-1)
30.72	2.9108	30.7	(1,1,2)
31.22	2.8651	36.1	(1,1,-2)
31.80	2.8139	36.0	(1,2,0)
32.06	2.7917	10.3	(0,2,2)
33.02	2.7126	8.3	(0,2,-2)
33.05	2.7103	6.6	(0,1,3)
33.24	2.6954	39.3	(1,2,1)
33.71	2.6590	45.3	(1,2,-1)
33.76	2.6553	4.6	(0,1,-3)
36.65	2.4517	100.0	(1,0,3)
37.68	2.3872	7.3	(1,2,2)
38.52	2.3372	4.6	(1,2,-2)
38.54	2.3358	3.5	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.90595

eV/atom

Energy/atom

-37.65781

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.6578

eV/atom

Volume/atom

23.72

Å³

c/a Ratio

1.8879

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2355

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000830

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.333

Element Family

4d-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

0.6941

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.415%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4793

smaller = more stable mixing

VEC

4.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.224

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjum

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293328

Reference Citation

The crystal structure and related material properties of Y4Lu4OsPt3 were obtained from the Materials Project database (MP-ID: mp-3293328, 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_Y4Lu4OsPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60462236
_cell_length_b   7.11283933
_cell_length_c   8.69312740
_cell_angle_alpha   88.31871839
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Lu4OsPt3
_chemical_formula_sum   'Y4 Lu4 Os1 Pt3'
_cell_volume   284.59420754
_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
  Y  Y0  1  0.25000000  0.01618551  0.66416047  1.0
  Y  Y1  1  0.25000000  0.50955040  0.82760139  1.0
  Y  Y2  1  0.75000000  0.99980487  0.33415048  1.0
  Y  Y3  1  0.75000000  0.47328240  0.17904450  1.0
  Lu  Lu4  1  0.25000000  0.13458476  0.07727854  1.0
  Lu  Lu5  1  0.25000000  0.65193106  0.42159300  1.0
  Lu  Lu6  1  0.75000000  0.85275399  0.92616843  1.0
  Lu  Lu7  1  0.75000000  0.36066660  0.57163699  1.0
  Os  Os8  1  0.25000000  0.26076136  0.39744996  1.0
  Pt  Pt9  1  0.25000000  0.74389597  0.09387954  1.0
  Pt  Pt10  1  0.75000000  0.75016088  0.60312591  1.0
  Pt  Pt11  1  0.75000000  0.24642019  0.90391178  1.0

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