EuMg2Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1067840 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

EuMg2Fe

MP-ID

mp-1067840

Elements

Sites

Density

4.0821

g/cm³

Volume

104.31

Å³

Cell a

4.8418

Cell b

4.8418

Cell c

5.1378

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

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
17.26	5.1378	2.0	(0,0,0,1)
21.19	4.1931	100.0	(1,0,-1,0)
27.46	3.2486	43.1	(1,0,-1,1)
34.93	2.5689	18.7	(0,0,0,2)
37.14	2.4209	48.1	(2,-1,-1,0)
41.21	2.1905	36.3	(1,0,-1,2)
41.22	2.1900	2.0	(2,-1,-1,1)
43.15	2.0966	10.4	(2,0,-2,0)
43.15	2.0966	5.2	(2,-2,0,0)
46.80	1.9412	10.4	(2,0,-2,1)
51.90	1.7618	35.3	(2,-1,-1,2)
56.67	1.6243	13.9	(2,0,-2,2)
58.19	1.5855	5.5	(1,0,-1,3)
58.21	1.5848	8.4	(3,-1,-2,0)
58.21	1.5848	4.2	(3,-2,-1,0)
61.20	1.5144	9.6	(3,-1,-2,1)
66.95	1.3977	5.4	(3,0,-3,0)
66.95	1.3977	2.7	(3,-3,0,0)
69.72	1.3488	14.8	(3,-1,-2,2)
71.08	1.3263	3.1	(2,0,-2,3)
73.77	1.2845	1.9	(0,0,0,4)
77.76	1.2281	3.8	(1,0,-1,4)
77.76	1.2281	1.9	(1,-1,0,4)
77.79	1.2277	6.9	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

0.37269

eV/atom

Energy/atom

-5.13208

eV/atom

Energy above Hull

0.4371

eV/atom

Uncorrected Energy

-5.1321

eV/atom

Volume/atom

26.08

Å³

c/a Ratio

1.0612

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.0030

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.076720

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

5.1390

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.300%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2452

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.394

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Related Tasks

Related computation task IDs (5)

aaaciuaq aaadrmxw aaaefzwg aaaeusmu aaafcbfi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1067840

Reference Citation

The crystal structure and related material properties of EuMg2Fe were obtained from the Materials Project database (MP-ID: mp-1067840, 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…

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Raw CIF Data

# generated using pymatgen
data_EuMg2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84176569
_cell_length_b   4.84176569
_cell_length_c   5.13784100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuMg2Fe
_chemical_formula_sum   'Eu1 Mg2 Fe1'
_cell_volume   104.30829529
_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
  Eu  Eu0  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.97844000  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.02156000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1.0

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