HfMg15

Traditional Materials TRA

MP-ID: mp-1023478 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg15

MP-ID

mp-1023478

Elements

Sites

Density

2.4880

g/cm³

Volume

362.45

Å³

Cell a

6.4132

Cell b

6.4132

Cell c

10.1758

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 24)

2θ	d (Å)	I	hkl
8.69	10.1758	44.1	(0,0,0,1)
15.96	5.5540	36.5	(1,0,-1,0)
17.43	5.0879	9.7	(0,0,0,2)
18.20	4.8751	52.8	(1,0,-1,1)
23.72	3.7517	27.6	(1,0,-1,2)
26.27	3.3919	3.4	(0,0,0,3)
27.82	3.2066	6.4	(2,-1,-1,0)
27.82	3.2066	3.2	(1,1,-2,0)
29.20	3.0583	11.4	(2,-1,-1,1)
29.20	3.0583	5.7	(1,1,-2,1)
30.89	2.8948	14.7	(1,0,-1,3)
32.24	2.7770	9.5	(2,-2,0,0)
32.24	2.7770	19.0	(2,0,-2,0)
33.02	2.7128	12.4	(2,-1,-1,2)
33.45	2.6790	11.9	(2,0,-2,1)
35.28	2.5440	24.6	(0,0,0,4)
36.87	2.4376	100.0	(2,0,-2,2)
38.64	2.3302	8.2	(2,-1,-1,3)
38.94	2.3129	8.3	(1,0,-1,4)
42.05	2.1487	6.8	(2,0,-2,3)
43.09	2.0992	3.8	(3,-1,-2,0)
43.09	2.0992	1.9	(2,1,-3,0)
44.05	2.0559	7.6	(3,-1,-2,1)
44.05	2.0559	3.8	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

0.07120

eV/atom

Energy/atom

-2.07969

eV/atom

Energy above Hull

0.0712

eV/atom

Uncorrected Energy

-2.0797

eV/atom

Volume/atom

22.65

Å³

c/a Ratio

1.5867

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

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

0.793

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggho aaacggnn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023478

Reference Citation

The crystal structure and related material properties of HfMg15 were obtained from the Materials Project database (MP-ID: mp-1023478, 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_HfMg15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41318687
_cell_length_b   6.41318687
_cell_length_c   10.17579800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg15
_chemical_formula_sum   'Hf1 Mg15'
_cell_volume   362.44896100
_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
  Hf  Hf0  1  0.66666700  0.33333300  0.00000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg2  1  0.16835700  0.33671300  0.00000000  1.0
  Mg  Mg3  1  0.16650900  0.33301800  0.50000000  1.0
  Mg  Mg4  1  0.16835700  0.83164300  0.00000000  1.0
  Mg  Mg5  1  0.16650900  0.83349100  0.50000000  1.0
  Mg  Mg6  1  0.66328700  0.83164300  0.00000000  1.0
  Mg  Mg7  1  0.66698200  0.83349100  0.50000000  1.0
  Mg  Mg8  1  0.99584500  0.49792300  0.24823300  1.0
  Mg  Mg9  1  0.99584500  0.49792300  0.75176700  1.0
  Mg  Mg10  1  0.50207700  0.49792300  0.24823300  1.0
  Mg  Mg11  1  0.50207700  0.49792300  0.75176700  1.0
  Mg  Mg12  1  0.50207700  0.00415500  0.24823300  1.0
  Mg  Mg13  1  0.50207700  0.00415500  0.75176700  1.0
  Mg  Mg14  1  0.00000000  0.00000000  0.24873800  1.0
  Mg  Mg15  1  0.00000000  0.00000000  0.75126200  1.0

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