Gd2Ho(InCu)3

High-Entropy Materials HEA

MP-ID: mp-3246487 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Gd2Ho(InCu)3

MP-ID

mp-3246487

Elements

Sites

Density

8.8675

g/cm³

Volume

189.98

Å³

Cell a

7.4319

Cell b

7.4309

Cell c

3.9725

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

Amm2

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
23.95	3.7159	2.8	(2,-1,-1,0)
23.95	3.7154	6.0	(1,1,-2,0)
26.37	3.3804	4.2	(1,0,-1,1)
26.37	3.3803	1.8	(0,1,-1,1)
27.72	3.2180	7.8	(2,0,-2,0)
27.73	3.2175	3.9	(0,2,-2,0)
33.01	2.7137	49.2	(2,-1,-1,1)
33.01	2.7135	100.0	(1,1,-2,1)
35.91	2.5005	74.3	(2,0,-2,1)
35.92	2.5003	39.0	(0,2,-2,1)
36.95	2.4326	26.6	(3,-1,-2,0)
36.96	2.4324	25.9	(2,1,-3,0)
36.96	2.4323	25.1	(1,2,-3,0)
42.12	2.1453	21.8	(3,0,-3,0)
42.13	2.1450	10.7	(0,3,-3,0)
43.63	2.0746	6.2	(3,-1,-2,1)
43.63	2.0744	6.2	(2,1,-3,1)
43.63	2.0743	5.4	(1,2,-3,1)
45.68	1.9862	33.3	(0,0,0,2)
49.04	1.8577	2.1	(2,2,-4,0)
51.17	1.7851	6.5	(4,-1,-3,0)
51.18	1.7849	3.4	(3,-4,1,0)
51.18	1.7849	3.4	(3,1,-4,0)
51.18	1.7848	6.7	(1,3,-4,0)

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Energy Properties

Formation Energy/atom

-0.46449

eV/atom

Energy/atom

-24.90354

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.9035

eV/atom

Volume/atom

21.11

Å³

c/a Ratio

0.5345

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

15.0431

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.079180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3108

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8979

J/mol·K

Ω Parameter

0.8341

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.691%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3011

smaller = more stable mixing

VEC

6.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.905

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcsmx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3246487

Reference Citation

The crystal structure and related material properties of Gd2Ho(InCu)3 were obtained from the Materials Project database (MP-ID: mp-3246487, 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_Gd2Ho(InCu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43187228
_cell_length_b   7.43088306
_cell_length_c   3.97246843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00440820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Ho(InCu)3
_chemical_formula_sum   'Gd2 Ho1 In3 Cu3'
_cell_volume   189.98112605
_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
  Gd  Gd0  1  0.99995986  0.58846056  0.50000000  1.0
  Gd  Gd1  1  0.41149929  0.41153944  0.50000000  1.0
  Ho  Ho2  1  0.58955049  1.00000000  0.50000000  1.0
  In  In3  1  0.74791955  0.74912884  0.00000000  1.0
  In  In4  1  0.99879071  0.25087116  0.00000000  1.0
  In  In5  1  0.25278701  1.00000000  0.00000000  1.0
  Cu  Cu6  1  0.33613762  0.66994186  0.00000000  1.0
  Cu  Cu7  1  0.99715873  0.00000000  0.50000000  1.0
  Cu  Cu8  1  0.66619675  0.33005814  0.00000000  1.0

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