Ac8PrHoIn6

High-Entropy Materials HEA

MP-ID: mp-3292980 · Space group: I-42m (#121)

Materials Project API

Basic Information

Formula

Ac8PrHoIn6

MP-ID

mp-3292980

Elements

Sites

Density

8.1983

g/cm³

Volume

569.31

Å³

Cell a

6.4297

Cell b

9.9423

Cell c

9.9423

α Angle

84.08

β Angle

71.16

γ Angle

71.16

Space Group

I-42m

Point Group

-42m

Crystal System

Tetragonal

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
9.40	9.4098	1.2	(0,1,0)
18.86	4.7049	3.7	(0,2,0)
20.33	4.3692	7.3	(1,1,-1)
20.33	4.3680	7.4	(1,0,-1)
20.33	4.3678	7.3	(1,2,0)
20.34	4.3652	7.0	(1,2,1)
21.10	4.2104	4.6	(0,2,-1)
21.12	4.2060	4.5	(0,2,1)
26.78	3.3290	4.2	(0,2,-2)
26.82	3.3247	4.3	(0,2,2)
27.75	3.2148	83.1	(2,1,1)
27.86	3.2021	65.9	(1,1,-2)
27.87	3.2012	66.9	(1,0,-2)
27.87	3.2010	66.8	(1,3,0)
27.89	3.1995	66.4	(1,3,1)
28.46	3.1366	11.9	(0,3,0)
29.35	3.0427	1.6	(2,1,0)
29.36	3.0417	1.9	(2,2,1)
30.02	2.9768	100.0	(0,3,-1)
30.04	2.9745	49.6	(0,1,3)
30.04	2.9745	49.6	(0,3,1)
30.89	2.8951	28.5	(2,0,0)
30.89	2.8950	56.5	(2,2,0)
30.90	2.8935	27.8	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.49373

eV/atom

Energy/atom

-47.17227

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.1723

eV/atom

Volume/atom

35.58

Å³

c/a Ratio

1.5463

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7743

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003120

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ac · 0.500

Element Family

Actinide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0610

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8208

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.184%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3229

smaller = more stable mixing

VEC

3.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7653

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjhc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292980

Reference Citation

The crystal structure and related material properties of Ac8PrHoIn6 were obtained from the Materials Project database (MP-ID: mp-3292980, 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_Ac8PrHoIn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42966936
_cell_length_b   9.94226149
_cell_length_c   9.94226194
_cell_angle_alpha   84.08396946
_cell_angle_beta   71.16367824
_cell_angle_gamma   71.16368130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac8PrHoIn6
_chemical_formula_sum   'Ac8 Pr1 Ho1 In6'
_cell_volume   569.31052784
_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
  Ac  Ac0  1  0.72437252  0.86469039  0.69163715  1.0
  Ac  Ac1  1  0.27921992  0.13533965  0.30827179  1.0
  Ac  Ac2  1  0.77562748  0.30836285  0.13530961  1.0
  Ac  Ac3  1  0.22078008  0.69172821  0.86466035  1.0
  Ac  Ac4  1  0.58497752  0.69195728  0.13542054  1.0
  Ac  Ac5  1  0.41152544  0.30800528  0.86463562  1.0
  Ac  Ac6  1  0.08847456  0.13536438  0.69199472  1.0
  Ac  Ac7  1  0.91502248  0.86457946  0.30804272  1.0
  Pr  Pr8  1  0.75000000  0.50022820  0.49977180  1.0
  Ho  Ho9  1  0.25000000  0.50000033  0.49999967  1.0
  In  In10  1  0.15866272  0.50006409  0.19058723  1.0
  In  In11  1  0.84915153  0.50004492  0.80946059  1.0
  In  In12  1  0.34133728  0.80941277  0.49993591  1.0
  In  In13  1  0.65084847  0.19053941  0.49995508  1.0
  In  In14  1  0.25000000  0.99996924  0.00003076  1.0
  In  In15  1  0.75000000  0.99971054  0.00028946  1.0

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