Ho2Ga2CuPt

高熵材料 HEA

MP-ID: mp-3293988 · Space group: Pmc2_1 (#26)

Materials Project API

Basic Information

Formula

Ho2Ga2CuPt

MP-ID

mp-3293988

Elements

Sites

Density

10.7247

g/cm³

Volume

225.42

Å³

Cell a

4.3285

Cell b

6.9462

Cell c

7.4973

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmc2_1

Point Group

mm2

Crystal System

Orthorhombic

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
11.80	7.4973	4.7	(0,0,1)
17.40	5.0954	11.7	(0,1,1)
20.52	4.3285	5.9	(1,0,0)
23.74	3.7487	2.3	(0,0,2)
23.74	3.7486	5.9	(1,0,1)
27.03	3.2989	4.6	(0,1,2)
27.03	3.2989	8.5	(1,1,1)
28.32	3.1514	1.7	(0,2,1)
31.57	2.8337	1.4	(1,0,2)
33.07	2.7089	3.9	(1,2,0)
34.17	2.6238	38.7	(1,1,2)
35.23	2.5477	38.7	(0,2,2)
35.23	2.5477	100.0	(1,2,1)
35.94	2.4991	1.2	(0,0,3)
38.28	2.3515	9.4	(0,1,3)
40.79	2.2123	17.1	(0,3,1)
41.11	2.1956	1.0	(1,2,2)
41.73	2.1643	50.8	(1,0,3)
41.74	2.1642	35.1	(2,0,0)
44.67	2.0285	1.9	(0,2,3)
45.54	1.9920	2.1	(2,1,1)
46.08	1.9699	2.7	(0,3,2)
46.08	1.9699	2.9	(1,3,1)
49.63	1.8368	2.3	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.90587

eV/atom

Energy/atom

-26.06966

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0697

eV/atom

Volume/atom

18.78

Å³

c/a Ratio

1.7321

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Ho · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

1.6911

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.177%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3746

smaller = more stable mixing

VEC

8.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.142

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfktw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293988

Reference Citation

The crystal structure and related material properties of Ho2Ga2CuPt were obtained from the Materials Project database (MP-ID: mp-3293988, 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_Ho2Ga2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32847574
_cell_length_b   6.94621054
_cell_length_c   7.49729313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Ga2CuPt
_chemical_formula_sum   'Ho4 Ga4 Cu2 Pt2'
_cell_volume   225.41739247
_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
  Ho  Ho0  1  0.25000000  0.00337179  0.79199935  1.0
  Ho  Ho1  1  0.25000000  0.50337179  0.70800065  1.0
  Ho  Ho2  1  0.75000000  0.98829098  0.20389474  1.0
  Ho  Ho3  1  0.75000000  0.48829098  0.29610526  1.0
  Ga  Ga4  1  0.25000000  0.18476981  0.40957934  1.0
  Ga  Ga5  1  0.25000000  0.68476981  0.09042066  1.0
  Ga  Ga6  1  0.75000000  0.80928251  0.57405780  1.0
  Ga  Ga7  1  0.75000000  0.30928251  0.92594220  1.0
  Cu  Cu8  1  0.25000000  0.79578614  0.41051657  1.0
  Cu  Cu9  1  0.25000000  0.29578614  0.08948343  1.0
  Pt  Pt10  1  0.75000000  0.21849877  0.58942254  1.0
  Pt  Pt11  1  0.75000000  0.71849877  0.91057746  1.0

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