Mg15Fe

Traditional Materials TRA

MP-ID: mp-1023632 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Fe

MP-ID

mp-1023632

Elements

Sites

Density

2.0402

g/cm³

Volume

342.18

Å³

Cell a

6.3049

Cell b

6.3049

Cell c

9.9396

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

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 22)

2θ	d (Å)	I	hkl
8.90	9.9396	8.3	(0,0,0,1)
16.23	5.4602	5.1	(1,0,-1,0)
17.85	4.9698	1.0	(0,0,0,2)
18.54	4.7856	5.9	(1,0,-1,1)
24.22	3.6753	1.5	(1,0,-1,2)
32.80	2.7301	25.2	(2,0,-2,0)
36.15	2.4849	23.9	(0,0,0,4)
37.59	2.3928	100.0	(2,0,-2,2)
39.46	2.2838	1.5	(2,-1,-1,3)
42.93	2.1070	2.0	(2,0,-2,3)
44.86	2.0207	1.1	(3,-1,-2,1)
47.72	1.9060	1.7	(3,-1,-2,2)
49.61	1.8377	14.4	(2,0,-2,4)
58.56	1.5762	11.4	(4,-2,-2,0)
58.56	1.5762	5.7	(2,2,-4,0)
65.96	1.4163	15.8	(2,0,-2,6)
68.77	1.3650	2.6	(4,0,-4,0)
70.79	1.3310	17.6	(4,-2,-2,4)
71.70	1.3163	13.2	(4,0,-4,2)
76.70	1.2425	2.0	(0,0,0,8)
80.24	1.1964	3.1	(4,0,-4,4)
85.96	1.1309	2.4	(2,0,-2,8)

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Energy Properties

Formation Energy/atom

0.10778

eV/atom

Energy/atom

-1.95016

eV/atom

Energy above Hull

0.1078

eV/atom

Uncorrected Energy

-1.9502

eV/atom

Volume/atom

21.39

Å³

c/a Ratio

1.5765

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.2174

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006480

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.688

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (1)

aaacgglt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023632

Reference Citation

The crystal structure and related material properties of Mg15Fe were obtained from the Materials Project database (MP-ID: mp-1023632, 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_Mg15Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30486006
_cell_length_b   6.30486006
_cell_length_c   9.93962000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Fe
_chemical_formula_sum   'Mg15 Fe1'
_cell_volume   342.17739342
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.99485200  0.49742600  0.50000000  1.0
  Mg  Mg2  1  0.00354400  0.50177200  0.00000000  1.0
  Mg  Mg3  1  0.50257400  0.49742600  0.50000000  1.0
  Mg  Mg4  1  0.49822800  0.50177200  0.00000000  1.0
  Mg  Mg5  1  0.50257400  0.00514800  0.50000000  1.0
  Mg  Mg6  1  0.49822800  0.99645600  0.00000000  1.0
  Mg  Mg7  1  0.15929200  0.31858400  0.26584900  1.0
  Mg  Mg8  1  0.15929200  0.31858400  0.73415100  1.0
  Mg  Mg9  1  0.15929200  0.84070800  0.26584900  1.0
  Mg  Mg10  1  0.15929200  0.84070800  0.73415100  1.0
  Mg  Mg11  1  0.68141600  0.84070800  0.26584900  1.0
  Mg  Mg12  1  0.68141600  0.84070800  0.73415100  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.24719600  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.75280400  1.0
  Fe  Fe15  1  0.00000000  0.00000000  0.50000000  1.0

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