HoAl3

Traditional Materials TRA

MP-ID: mp-1184638 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoAl3

MP-ID

mp-1184638

Elements

Sites

Density

5.3393

g/cm³

Volume

152.94

Å³

Cell a

6.2038

Cell b

6.2038

Cell c

4.5884

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

Yes

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
16.50	5.3727	26.9	(1,0,-1,0)
25.53	3.4892	100.0	(1,0,-1,1)
28.78	3.1019	31.3	(2,-1,-1,0)
28.78	3.1019	15.7	(1,1,-2,0)
33.35	2.6863	7.9	(2,-2,0,0)
33.35	2.6863	15.8	(2,0,-2,0)
38.85	2.3183	93.8	(2,0,-2,1)
39.27	2.2942	21.0	(0,0,0,2)
42.86	2.1099	5.3	(1,0,-1,2)
44.62	2.0307	4.1	(3,-2,-1,0)
44.62	2.0307	8.1	(3,-1,-2,0)
49.06	1.8570	26.0	(3,-1,-2,1)
49.41	1.8445	21.6	(2,-1,-1,2)
50.99	1.7909	3.0	(3,-3,0,0)
50.99	1.7909	5.9	(3,0,-3,0)
52.45	1.7446	13.0	(2,0,-2,2)
55.04	1.6683	1.1	(3,0,-3,1)
59.61	1.5510	11.0	(4,-2,-2,0)
59.61	1.5510	5.5	(2,2,-4,0)
60.93	1.5206	9.7	(3,-1,-2,2)
63.21	1.4710	8.2	(1,0,-1,3)
65.91	1.4173	5.7	(4,-3,-1,1)
65.91	1.4173	11.4	(4,-1,-3,1)
66.20	1.4117	2.7	(3,-3,0,2)

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Energy Properties

Formation Energy/atom

-0.47124

eV/atom

Energy/atom

-13.74065

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.7406

eV/atom

Volume/atom

19.12

Å³

c/a Ratio

0.7396

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

Elastic data not available

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

0.806

Family

Al-based Alloy

Matrix Element

Al · 0.750

Related Tasks

Related computation task IDs (5)

aaadobzt aaadvsph aaaemqwf aaaeqcdq aaafbcdq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184638

Reference Citation

The crystal structure and related material properties of HoAl3 were obtained from the Materials Project database (MP-ID: mp-1184638, 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   6.20382424
_cell_length_b   6.20382424
_cell_length_c   4.58840980
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoAl3
_chemical_formula_sum   'Ho2 Al6'
_cell_volume   152.93671366
_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  0.66666700  0.33333300  0.25000000  1.0
  Ho  Ho1  1  0.33333300  0.66666700  0.75000000  1.0
  Al  Al2  1  0.85298204  0.14701796  0.75000000  1.0
  Al  Al3  1  0.29403491  0.14701796  0.75000000  1.0
  Al  Al4  1  0.85298204  0.70596509  0.75000000  1.0
  Al  Al5  1  0.14701796  0.85298204  0.25000000  1.0
  Al  Al6  1  0.70596509  0.85298204  0.25000000  1.0
  Al  Al7  1  0.14701796  0.29403491  0.25000000  1.0

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