Ho3Ag3C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293471 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Ho3Ag3C

MP-ID

mp-3293471

Elements

Sites

Density

9.8401

g/cm³

Volume

560.53

Å³

Cell a

9.2549

Cell b

9.2549

Cell c

9.2549

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
27.25	3.2721	3.8	(2,2,0)
29.75	3.0027	13.7	(2,-1,0)
29.75	3.0027	2.7	(2,0,-1)
33.54	2.6717	42.0	(3,1,0)
35.64	2.5189	100.0	(3,0,0)
35.64	2.5189	8.0	(0,0,3)
38.93	2.3137	15.8	(2,-2,0)
38.93	2.3137	15.8	(4,2,2)
40.79	2.2124	1.2	(4,2,1)
41.39	2.1814	4.9	(3,-1,0)
41.39	2.1814	3.5	(4,1,1)
46.00	1.9732	4.6	(4,2,0)
49.75	1.8328	2.7	(3,-2,0)
49.75	1.8328	3.2	(4,3,0)
53.80	1.7040	6.9	(4,0,-1)
56.23	1.6361	1.0	(4,4,0)
57.65	1.5990	6.0	(5,0,2)
57.65	1.5990	3.0	(5,2,0)
59.97	1.5425	16.5	(5,0,3)
59.97	1.5425	27.0	(3,3,-2)
61.34	1.5113	2.7	(0,5,0)
61.34	1.5113	7.8	(4,1,-2)
64.91	1.4366	2.7	(5,-1,1)
64.91	1.4366	1.6	(5,5,1)

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Energy Properties

Formation Energy/atom

-0.41060

eV/atom

Energy/atom

-25.07616

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.0762

eV/atom

Volume/atom

20.02

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0121

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.143

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0042

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3493

J/mol·K

Ω Parameter

2.7371

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.825%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4693

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.547

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9141

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.495

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.429

Related Tasks

Related computation task IDs (1)

aaahfjzz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293471

Reference Citation

The crystal structure and related material properties of Ho3Ag3C were obtained from the Materials Project database (MP-ID: mp-3293471, 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_Ho3Ag3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25491568
_cell_length_b   9.25491630
_cell_length_c   9.25491554
_cell_angle_alpha   59.99999924
_cell_angle_beta   59.99999701
_cell_angle_gamma   60.00000224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Ag3C
_chemical_formula_sum   'Ho12 Ag12 C4'
_cell_volume   560.53459172
_cell_formula_units_Z   4
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  0.44282344  0.44282344  0.05717656  1.0
  Ho  Ho1  1  0.05717656  0.44282344  0.05717656  1.0
  Ho  Ho2  1  0.44282344  0.05717656  0.05717656  1.0
  Ho  Ho3  1  0.05717656  0.05717656  0.44282344  1.0
  Ho  Ho4  1  0.44282344  0.05717656  0.44282344  1.0
  Ho  Ho5  1  0.05717656  0.44282344  0.44282344  1.0
  Ho  Ho6  1  0.80717656  0.80717656  0.19282344  1.0
  Ho  Ho7  1  0.19282344  0.80717656  0.19282344  1.0
  Ho  Ho8  1  0.80717656  0.19282344  0.19282344  1.0
  Ho  Ho9  1  0.19282344  0.19282344  0.80717656  1.0
  Ho  Ho10  1  0.80717656  0.19282344  0.80717656  1.0
  Ho  Ho11  1  0.19282344  0.80717656  0.80717656  1.0
  Ag  Ag12  1  0.83188569  0.83188569  0.50434393  1.0
  Ag  Ag13  1  0.83188569  0.50434393  0.83188569  1.0
  Ag  Ag14  1  0.50434393  0.83188569  0.83188569  1.0
  Ag  Ag15  1  0.83188569  0.83188569  0.83188569  1.0
  Ag  Ag16  1  0.41811431  0.41811431  0.74565607  1.0
  Ag  Ag17  1  0.41811431  0.74565607  0.41811431  1.0
  Ag  Ag18  1  0.74565607  0.41811431  0.41811431  1.0
  Ag  Ag19  1  0.41811431  0.41811431  0.41811431  1.0
  Ag  Ag20  1  0.62500000  0.62500000  0.12500000  1.0
  Ag  Ag21  1  0.62500000  0.12500000  0.62500000  1.0
  Ag  Ag22  1  0.12500000  0.62500000  0.62500000  1.0
  Ag  Ag23  1  0.62500000  0.62500000  0.62500000  1.0
  C  C24  1  0.12500000  0.12500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.12500000  1.0
  C  C26  1  0.62500000  0.12500000  0.12500000  1.0
  C  C27  1  0.12500000  0.12500000  0.12500000  1.0

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