Ac5Mg2Ru3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292224 · Space group: I2_13 (#199)

Materials Project API

Basic Information

Formula

Ac5Mg2Ru3

MP-ID

mp-3292224

Elements

Sites

Density

8.7638

g/cm³

Volume

563.43

Å³

Cell a

9.0120

Cell b

9.0120

Cell c

9.0120

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

I2_13

Point Group

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.6802

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
12.03	7.3583	4.3	(1,0,0)
12.03	7.3583	8.6	(0,1,0)
17.04	5.2031	18.3	(1,1,-1)
20.91	4.2483	8.3	(1,1,0)
24.19	3.6791	23.2	(2,0,0)
27.10	3.2907	33.3	(2,1,-1)
27.10	3.2907	66.7	(1,2,-1)
29.74	3.0040	52.9	(1,1,1)
32.19	2.7812	100.0	(2,1,0)
32.19	2.7812	78.9	(1,-3,0)
34.47	2.6015	1.9	(2,2,-2)
36.64	2.4528	27.2	(2,2,-1)
38.70	2.3269	23.7	(3,1,-1)
38.70	2.3269	17.9	(3,-1,-3)
40.67	2.2186	1.9	(4,-1,-1)
42.56	2.1242	2.4	(2,2,0)
42.56	2.1242	7.1	(4,0,-2)
44.39	2.0408	32.7	(3,1,0)
44.39	2.0408	3.3	(4,-3,-1)
47.88	1.8999	57.7	(3,2,-1)
49.55	1.8396	4.7	(4,0,0)
49.55	1.8396	4.7	(4,0,-4)
51.19	1.7846	18.1	(2,2,1)
51.19	1.7846	3.0	(2,-5,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.16962

eV/atom

Energy/atom

-42.94958

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.9496

eV/atom

Volume/atom

28.17

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.0297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5605

J/mol·K

Ω Parameter

1.5678

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.825%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4832

smaller = more stable mixing

VEC

3.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.890

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9372

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.512

Family

Ac-rich Multi-Component

Matrix Element

Ac · 0.500

Related Tasks

Related computation task IDs (1)

aaahfiea

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292224

Reference Citation

The crystal structure and related material properties of Ac5Mg2Ru3 were obtained from the Materials Project database (MP-ID: mp-3292224, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ac5Mg2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01201232
_cell_length_b   9.01201202
_cell_length_c   9.01201245
_cell_angle_alpha   109.47121937
_cell_angle_beta   109.47121869
_cell_angle_gamma   109.47121693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac5Mg2Ru3
_chemical_formula_sum   'Ac10 Mg4 Ru6'
_cell_volume   563.43454164
_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
  Ac  Ac0  1  0.79078348  0.00000000  0.00000000  1.0
  Ac  Ac1  1  0.25000000  0.31616907  0.06616907  1.0
  Ac  Ac2  1  0.70921852  0.70921852  0.20921852  1.0
  Ac  Ac3  1  0.18383093  0.93383093  0.25000000  1.0
  Ac  Ac4  1  0.00000000  0.50000100  0.29078248  1.0
  Ac  Ac5  1  0.75000000  0.18383093  0.43383093  1.0
  Ac  Ac6  1  0.50000100  0.79078348  0.50000100  1.0
  Ac  Ac7  1  0.93383093  0.75000000  0.68383093  1.0
  Ac  Ac8  1  0.31616907  0.56616907  0.75000000  1.0
  Ac  Ac9  1  0.56616907  0.25000000  0.81616807  1.0
  Mg  Mg10  1  0.41015952  1.00000000  1.00000000  1.0
  Mg  Mg11  1  0.50000000  0.41015952  0.50000000  1.0
  Mg  Mg12  1  0.08984048  0.08984048  0.58984048  1.0
  Mg  Mg13  1  1.00000000  0.50000000  0.91015952  1.0
  Ru  Ru14  1  0.37762601  0.75000000  0.12762601  1.0
  Ru  Ru15  1  0.62762601  0.37762601  0.25000000  1.0
  Ru  Ru16  1  0.12237399  0.25000000  0.37237399  1.0
  Ru  Ru17  1  0.25000000  0.87237399  0.62237499  1.0
  Ru  Ru18  1  0.87237299  0.12237399  0.75000000  1.0
  Ru  Ru19  1  0.75000000  0.62762601  0.87762601  1.0

Get direct link