SrMg5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981214 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

SrMg5

MP-ID

mp-981214

Elements

Sites

Density

2.0825

g/cm³

Volume

166.77

Å³

Cell a

5.0291

Cell b

6.1880

Cell c

6.1880

α Angle

60.00

β Angle

90.00

γ Angle

90.00

Space Group

P6/mmm

Point Group

6/mmm

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
16.54	5.3590	9.4	(0,1,-1,1)
16.54	5.3590	18.9	(0,1,-1,0)
17.64	5.0291	25.9	(1,0,-1,0)
24.27	3.6672	50.0	(1,1,-2,1)
24.27	3.6672	100.0	(1,1,-2,0)
28.86	3.0940	54.2	(0,2,-2,1)
28.86	3.0940	27.1	(0,1,-1,-1)
33.44	2.6795	27.5	(0,2,-2,2)
33.44	2.6795	27.5	(0,2,-2,0)
33.44	2.6795	27.5	(0,0,0,2)
34.02	2.6352	73.6	(1,2,-3,1)
34.02	2.6352	73.6	(1,1,-2,2)
34.02	2.6352	73.6	(1,1,-2,-1)
35.71	2.5145	55.3	(2,0,-2,0)
39.59	2.2764	2.4	(2,1,-3,1)
39.59	2.2764	4.8	(2,1,-3,0)
44.74	2.0255	1.7	(0,3,-3,2)
44.74	2.0255	1.7	(0,3,-3,1)
44.74	2.0255	1.7	(0,2,-2,-1)
46.54	1.9514	28.4	(2,2,-4,1)
46.54	1.9514	14.2	(2,1,-3,-1)
48.45	1.8788	15.1	(1,3,-4,2)
48.45	1.8788	15.1	(1,3,-4,1)
48.45	1.8788	15.1	(1,2,-3,-1)

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Energy Properties

Formation Energy/atom

-0.03525

eV/atom

Energy/atom

-6.03394

eV/atom

Energy above Hull

0.0228

eV/atom

Uncorrected Energy

-6.0339

eV/atom

Volume/atom

27.80

Å³

c/a Ratio

1.2305

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

28.947

GPa

G_VRH

16.656

GPa

Young's Modulus E

41.927

GPa

Poisson Ratio ν

0.259

Pugh Ratio K/G

1.738

Vickers Hardness Est.

2.430

GPa

Ductility

Ductile

Anisotropy

0.360

Lame λ

17.843

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.827

Family

Mg-based Alloy

Matrix Element

Mg · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3600

Homogeneous Poisson ν

0.2590

Debye Temperature

370.1

Sound Velocity

3,142.9

m/s

Homogeneity

0.2590

Related Tasks

Related computation task IDs (2)

aaacdygu aaaempgf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981214

Reference Citation

The crystal structure and related material properties of SrMg5 were obtained from the Materials Project database (MP-ID: mp-981214, 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_SrMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02906601
_cell_length_b   6.18801912
_cell_length_c   6.18801900
_cell_angle_alpha   59.99986362
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg5
_chemical_formula_sum   'Sr1 Mg5'
_cell_volume   166.77104750
_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
  Sr  Sr0  1  0.50000000  0.66666700  0.33333300  1.0
  Mg  Mg1  1  -0.00000000  0.16981442  0.83018558  1.0
  Mg  Mg2  1  0.50000000  0.33333300  0.00000100  1.0
  Mg  Mg3  1  -0.00000000  0.16351758  0.33333300  1.0
  Mg  Mg4  1  0.50000000  0.00000000  0.66666700  1.0
  Mg  Mg5  1  -0.00000000  0.66666700  0.83648142  1.0

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