Ho3Mg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974322 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ho3Mg

MP-ID

mp-974322

Elements

Sites

Density

7.4207

g/cm³

Volume

232.32

Å³

Cell a

6.9729

Cell b

6.9729

Cell c

5.5173

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

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
14.67	6.0387	8.6	(1,0,-1,0)
21.82	4.0732	36.0	(1,0,-1,1)
25.55	3.4865	9.6	(2,-1,-1,0)
25.55	3.4864	4.8	(1,-2,1,0)
29.59	3.0194	11.9	(2,0,-2,0)
29.59	3.0194	23.7	(2,-2,0,0)
32.46	2.7586	37.4	(0,0,0,2)
33.84	2.6487	50.0	(2,0,-2,1)
33.84	2.6487	100.0	(2,-2,0,1)
35.79	2.5092	2.0	(1,0,-1,2)
39.48	2.2824	2.2	(3,-1,-2,0)
39.48	2.2824	1.5	(3,-2,-1,0)
41.75	2.1633	5.3	(2,-1,-1,2)
41.75	2.1633	2.7	(1,-2,1,2)
42.88	2.1091	2.9	(3,-1,-2,1)
42.88	2.1091	2.9	(3,-2,-1,1)
42.88	2.1091	2.9	(2,-3,1,1)
44.49	2.0366	7.8	(2,0,-2,2)
44.49	2.0366	15.6	(2,-2,0,2)
45.04	2.0129	1.1	(3,0,-3,0)
45.04	2.0129	2.2	(3,-3,0,0)
51.98	1.7593	3.6	(1,0,-1,3)
52.00	1.7586	2.7	(3,-1,-2,2)
52.00	1.7585	1.3	(2,-3,1,2)

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Energy Properties

Formation Energy/atom

0.02814

eV/atom

Energy/atom

-3.82774

eV/atom

Energy above Hull

0.0536

eV/atom

Uncorrected Energy

-25.6995

eV/atom

Volume/atom

29.04

Å³

c/a Ratio

0.7913

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0035

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

K_VRH

41.030

GPa

G_VRH

25.844

GPa

Young's Modulus E

64.078

GPa

Poisson Ratio ν

0.240

Pugh Ratio K/G

1.588

Vickers Hardness Est.

4.805

GPa

Ductility

Ductile

Anisotropy

0.095

Lame λ

23.801

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.686

Family

Binary Alloy

Matrix Element

Ho · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0950

Homogeneous Poisson ν

0.2400

Debye Temperature

555.9

Sound Velocity

2,069.4

m/s

Homogeneity

0.2400

Related Tasks

Related computation task IDs (2)

aaacdllu aaaemejt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974322

Reference Citation

The crystal structure and related material properties of Ho3Mg were obtained from the Materials Project database (MP-ID: mp-974322, 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_Ho3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97289141
_cell_length_b   6.97288924
_cell_length_c   5.51727028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Mg
_chemical_formula_sum   'Ho6 Mg2'
_cell_volume   232.31680074
_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
  Ho  Ho0  1  0.17022536  0.34045271  0.25000000  1.0
  Ho  Ho1  1  0.65954729  0.82977364  0.25000000  1.0
  Ho  Ho2  1  0.17022536  0.82977364  0.25000000  1.0
  Ho  Ho3  1  0.82977464  0.17022736  0.75000000  1.0
  Ho  Ho4  1  0.34045371  0.17022736  0.75000000  1.0
  Ho  Ho5  1  0.82977564  0.65954829  0.75000000  1.0
  Mg  Mg6  1  0.66666700  0.33333300  0.25000000  1.0
  Mg  Mg7  1  0.33333300  0.66666700  0.75000000  1.0

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