NdHo2Ga8Ag3

高熵材料 HEA

MP-ID: mp-3295473 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

NdHo2Ga8Ag3

MP-ID

mp-3295473

Elements

Sites

Density

8.5073

g/cm³

Volume

264.58

Å³

Cell a

4.2964

Cell b

8.3251

Cell c

8.3251

α Angle

69.36

β Angle

75.05

γ Angle

75.05

Space Group

Immm

Point Group

mmm

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
11.56	7.6564	6.5	(0,1,0)
18.73	4.7367	2.1	(0,1,-1)
22.56	3.9409	1.5	(0,2,1)
22.73	3.9128	6.9	(1,1,0)
23.24	3.8282	2.3	(0,2,0)
27.44	3.2502	1.3	(0,2,2)
28.88	3.0911	4.1	(1,0,2)
28.88	3.0911	4.1	(1,2,0)
29.10	3.0686	1.2	(0,2,-1)
29.27	3.0511	6.6	(1,2,2)
29.27	3.0511	6.6	(1,-1,-1)
33.44	2.6800	15.7	(0,3,1)
34.98	2.5650	33.3	(1,1,3)
34.98	2.5650	100.0	(1,3,1)
35.16	2.5521	25.0	(0,3,0)
35.27	2.5445	24.5	(1,2,-1)
35.81	2.5074	5.9	(0,3,2)
35.92	2.5002	4.8	(1,2,3)
35.92	2.5002	14.5	(1,3,2)
37.98	2.3694	19.6	(1,3,0)
37.98	2.3694	19.6	(1,1,-2)
37.99	2.3684	9.3	(0,2,-2)
40.55	2.2245	5.3	(1,3,3)
40.55	2.2245	5.3	(1,-2,-2)

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Energy Properties

Formation Energy/atom

-0.52400

eV/atom

Energy/atom

-18.43761

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.4376

eV/atom

Volume/atom

18.90

Å³

c/a Ratio

1.9377

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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

Ga · 0.571

Element Family

PostTransition-Noble

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.5465

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.821%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2687

smaller = more stable mixing

VEC

5.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.216

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmyz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295473

Reference Citation

The crystal structure and related material properties of NdHo2Ga8Ag3 were obtained from the Materials Project database (MP-ID: mp-3295473, 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_NdHo2Ga8Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29636958
_cell_length_b   8.32508398
_cell_length_c   8.32508440
_cell_angle_alpha   69.35711220
_cell_angle_beta   75.04633593
_cell_angle_gamma   75.04634108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdHo2Ga8Ag3
_chemical_formula_sum   'Nd1 Ho2 Ga8 Ag3'
_cell_volume   264.57774825
_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
  Nd  Nd0  1  0.50000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.19832651  0.80167349  0.80167349  1.0
  Ho  Ho2  1  0.80167349  0.19832651  0.19832651  1.0
  Ga  Ga3  1  0.35558388  0.36229535  0.92653589  1.0
  Ga  Ga4  1  0.64441612  0.63770465  0.07346411  1.0
  Ga  Ga5  1  0.35558388  0.92653589  0.36229535  1.0
  Ga  Ga6  1  0.64441612  0.07346411  0.63770465  1.0
  Ga  Ga7  1  0.16177595  0.47012220  0.20632390  1.0
  Ga  Ga8  1  0.83822405  0.52987780  0.79367610  1.0
  Ga  Ga9  1  0.16177595  0.20632390  0.47012220  1.0
  Ga  Ga10  1  0.83822405  0.79367610  0.52987780  1.0
  Ag  Ag11  1  0.50000000  0.00000000  0.00000000  1.0
  Ag  Ag12  1  0.00000000  0.80338253  0.19661747  1.0
  Ag  Ag13  1  1.00000000  0.19661747  0.80338253  1.0

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