HoAl3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-898 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

HoAl3

MP-ID

mp-898

Elements

Sites

Density

5.4148

g/cm³

Volume

377.01

Å³

Cell a

12.3908

Cell b

12.3908

Cell c

12.3908

α Angle

28.27

β Angle

28.27

γ Angle

28.27

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

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
17.10	5.1850	8.0	(1,0,0)
17.64	5.0280	27.9	(1,1,0)
19.65	4.5180	83.4	(2,1,1)
21.04	4.2233	40.2	(2,2,1)
24.37	3.6531	100.0	(3,2,2)
26.25	3.3956	92.0	(3,3,2)
29.52	3.0257	42.9	(1,-1,0)
29.52	3.0257	85.7	(1,0,-1)
30.31	2.9484	25.6	(4,3,3)
32.47	2.7572	22.3	(4,4,3)
34.32	2.6133	6.4	(1,1,-1)
34.60	2.5925	22.2	(2,0,0)
35.72	2.5140	65.5	(2,2,0)
36.53	2.4596	33.6	(3,1,1)
36.99	2.4305	1.7	(5,4,4)
37.84	2.3776	69.9	(5,5,5)
38.64	2.3302	90.9	(3,3,1)
39.91	2.2590	89.4	(4,2,2)
42.83	2.1116	27.1	(4,4,2)
44.15	2.0512	1.7	(6,5,5)
44.45	2.0380	22.0	(5,3,3)
44.45	2.0380	11.0	(3,3,5)
45.88	1.9777	1.6	(2,0,-1)
46.11	1.9687	3.4	(2,-1,1)

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Energy Properties

Formation Energy/atom

-0.46314

eV/atom

Energy/atom

-13.73255

eV/atom

Energy above Hull

0.0081

eV/atom

Uncorrected Energy

-13.7325

eV/atom

Volume/atom

18.85

Å³

c/a Ratio

1.0000

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

76.254

GPa

G_VRH

56.689

GPa

Young's Modulus E

136.293

GPa

Poisson Ratio ν

0.202

Pugh Ratio K/G

1.345

Vickers Hardness Est.

12.003

GPa

Ductility

Ductile

Anisotropy

0.181

Lame λ

38.461

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 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

0.801

Family

Al-based Alloy

Matrix Element

Al · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1810

Homogeneous Poisson ν

0.2020

Debye Temperature

578.7

Sound Velocity

3,572.9

m/s

Homogeneity

0.2020

Related Tasks

Related computation task IDs (5)

aaadnimf aaadrksl aaaempbi aaaeudcv aaafwurx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-898

Reference Citation

The crystal structure and related material properties of HoAl3 were obtained from the Materials Project database (MP-ID: mp-898, 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_HoAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.39074847
_cell_length_b   12.39074847
_cell_length_c   12.39074842
_cell_angle_alpha   28.26785809
_cell_angle_beta   28.26785809
_cell_angle_gamma   28.26786089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoAl3
_chemical_formula_sum   'Ho5 Al15'
_cell_volume   377.00521620
_cell_formula_units_Z   5
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  0.59996251  0.59996251  0.59996251  1.0
  Ho  Ho1  1  0.40003749  0.40003749  0.40003749  1.0
  Ho  Ho2  1  0.86888956  0.86888956  0.86888956  1.0
  Ho  Ho3  1  0.13111044  0.13111044  0.13111044  1.0
  Ho  Ho4  1  -0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.56614173  0.11761348  0.11761348  1.0
  Al  Al6  1  0.11761348  0.56614173  0.11761348  1.0
  Al  Al7  1  0.11761348  0.11761348  0.56614173  1.0
  Al  Al8  1  0.43385827  0.88238652  0.88238652  1.0
  Al  Al9  1  0.88238652  0.43385827  0.88238652  1.0
  Al  Al10  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al11  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al12  1  -0.00000000  0.50000000  0.50000000  1.0
  Al  Al13  1  0.63602886  0.63602886  0.12852752  1.0
  Al  Al14  1  0.63602886  0.12852752  0.63602886  1.0
  Al  Al15  1  0.12852752  0.63602886  0.63602886  1.0
  Al  Al16  1  0.36397114  0.36397114  0.87147248  1.0
  Al  Al17  1  0.36397114  0.87147248  0.36397114  1.0
  Al  Al18  1  0.87147248  0.36397114  0.36397114  1.0
  Al  Al19  1  0.88238652  0.88238652  0.43385827  1.0

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