MnAl(WO4)2

High-Entropy Materials HEA

MP-ID: mp-1047774 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

MnAl(WO4)2

MP-ID

mp-1047774

Elements

Sites

Density

7.1111

g/cm³

Volume

269.75

Å³

Cell a

5.1238

Cell b

5.6758

Cell c

9.2794

α Angle

90.00

β Angle

91.59

γ Angle

90.00

Space Group

P2/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
15.61	5.6758	37.2	(0,1,0)
19.14	4.6379	100.0	(0,0,2)
20.04	4.4319	1.4	(1,0,1)
23.39	3.8025	49.0	(1,-1,0)
23.39	3.8025	49.0	(1,1,0)
24.79	3.5914	84.7	(0,1,2)
30.08	2.9707	60.5	(1,-1,-2)
30.08	2.9707	60.5	(1,1,-2)
30.71	2.9112	57.6	(1,-1,2)
30.71	2.9112	57.6	(1,1,2)
31.53	2.8379	15.1	(0,2,0)
35.04	2.5609	42.2	(2,0,0)
36.19	2.4823	28.2	(1,-2,0)
36.19	2.4823	28.2	(1,2,0)
37.14	2.4207	5.4	(0,2,-2)
37.14	2.4207	5.4	(0,2,2)
38.57	2.3343	3.3	(2,-1,0)
38.57	2.3343	3.3	(2,1,0)
38.83	2.3189	22.6	(0,0,4)
39.73	2.2687	30.2	(2,0,-2)
40.72	2.2159	5.7	(2,0,2)
41.01	2.2009	3.3	(1,-2,-2)
41.01	2.2009	3.3	(1,2,-2)
41.49	2.1764	21.0	(1,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-2.38793

eV/atom

Energy/atom

-8.92189

eV/atom

Energy above Hull

0.0617

eV/atom

Uncorrected Energy

-7.5852

eV/atom

Volume/atom

11.24

Å³

c/a Ratio

1.8110

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.044490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9831

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1734

J/mol·K

Ω Parameter

8.1319

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.564%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7287

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.861

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaachgqq aaaefhwj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047774

Reference Citation

The crystal structure and related material properties of MnAl(WO4)2 were obtained from the Materials Project database (MP-ID: mp-1047774, 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_MnAl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12381344
_cell_length_b   5.67576500
_cell_length_c   9.27936019
_cell_angle_alpha   90.00001657
_cell_angle_beta   91.59362249
_cell_angle_gamma   90.00008473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl(WO4)2
_chemical_formula_sum   'Mn2 Al2 W4 O16'
_cell_volume   269.75390252
_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
  Mn  Mn0  1  0.75000000  0.34608900  0.25000000  1.0
  Mn  Mn1  1  0.25000000  0.64585700  0.75000100  1.0
  Al  Al2  1  0.25000000  0.65563100  0.25000000  1.0
  Al  Al3  1  0.75000000  0.33528100  0.75000000  1.0
  W  W4  1  0.74358700  0.83761200  0.49765300  1.0
  W  W5  1  0.75641300  0.83761100  0.00234800  1.0
  W  W6  1  0.24844800  0.16975900  0.50101400  1.0
  W  W7  1  0.25155100  0.16975800  0.99898600  1.0
  O  O8  1  0.37767800  0.39723200  0.13076700  1.0
  O  O9  1  0.12232100  0.39723200  0.36923200  1.0
  O  O10  1  0.62364500  0.60926600  0.87503400  1.0
  O  O11  1  0.87635500  0.60926700  0.62496600  1.0
  O  O12  1  0.43184200  0.88612000  0.60747000  1.0
  O  O13  1  0.06815700  0.88612000  0.89253000  1.0
  O  O14  1  0.58394100  0.11452000  0.39244300  1.0
  O  O15  1  0.91606000  0.11451900  0.10755600  1.0
  O  O16  1  0.93116000  0.64397000  0.13911000  1.0
  O  O17  1  0.56884000  0.64397000  0.36089100  1.0
  O  O18  1  0.06113700  0.35845200  0.85585700  1.0
  O  O19  1  0.43886200  0.35845200  0.64414300  1.0
  O  O20  1  0.42800700  0.87834800  0.11318300  1.0
  O  O21  1  0.58154700  0.11329300  0.88364600  1.0
  O  O22  1  0.07199200  0.87834800  0.38681800  1.0
  O  O23  1  0.91845300  0.11329300  0.61635400  1.0

Get direct link