Ho3Lu

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-973689 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ho3Lu

MP-ID

mp-973689

Elements

Sites

Density

9.0326

g/cm³

Volume

246.25

Å³

Cell a

7.1691

Cell b

7.1691

Cell c

5.5325

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
28.76	3.1043	12.0	(2,0,-2,0)
28.76	3.1043	24.0	(2,-2,0,0)
32.36	2.7663	35.3	(0,0,0,2)
33.09	2.7073	50.0	(2,0,-2,1)
33.09	2.7073	100.0	(2,0,-2,-1)
43.84	2.0653	7.7	(2,0,-2,2)
43.84	2.0653	7.7	(2,0,-2,-2)
43.84	2.0653	7.7	(2,-2,0,2)
50.95	1.7923	10.0	(2,2,-4,0)
50.95	1.7923	10.0	(4,-2,-2,0)
50.95	1.7923	10.0	(2,-4,2,0)
58.19	1.5855	10.1	(2,0,-2,3)
58.19	1.5855	10.1	(2,0,-2,-3)
58.19	1.5855	10.1	(2,-2,0,3)
59.56	1.5522	1.6	(4,0,-4,0)
59.56	1.5522	1.6	(0,4,-4,0)
59.56	1.5522	1.6	(4,-4,0,0)
61.66	1.5042	5.6	(2,2,-4,2)
61.66	1.5042	16.9	(4,-2,-2,2)
61.66	1.5042	5.6	(2,2,-4,-2)
61.66	1.5042	5.6	(2,-4,2,2)
62.11	1.4945	4.1	(4,0,-4,1)
62.11	1.4945	8.3	(4,0,-4,-1)
62.11	1.4945	4.1	(0,4,-4,-1)

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Energy Properties

Formation Energy/atom

0.00232

eV/atom

Energy/atom

-34.17865

eV/atom

Energy above Hull

0.0023

eV/atom

Uncorrected Energy

-34.1787

eV/atom

Volume/atom

30.78

Å³

c/a Ratio

0.7717

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

44.373

GPa

G_VRH

30.304

GPa

Young's Modulus E

74.054

GPa

Poisson Ratio ν

0.222

Pugh Ratio K/G

1.464

Vickers Hardness Est.

6.417

GPa

Ductility

Ductile

Anisotropy

0.026

Lame λ

24.170

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

0.640

Family

Binary Alloy

Matrix Element

Ho · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0260

Homogeneous Poisson ν

0.2220

Homogeneity

0.2220

Related Tasks

Related computation task IDs (4)

aaadqeht aaadvfhm aaaeijkr aaaepmxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973689

Reference Citation

The crystal structure and related material properties of Ho3Lu were obtained from the Materials Project database (MP-ID: mp-973689, 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

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Raw CIF Data

# generated using pymatgen
data_Ho3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16911224
_cell_length_b   7.16911119
_cell_length_c   5.53250176
_cell_angle_alpha   89.99997878
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Lu
_chemical_formula_sum   'Ho6 Lu2'
_cell_volume   246.25381571
_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  0.16759063  0.33518127  0.25000150  1.0
  Ho  Ho1  1  0.83240893  0.16758944  0.75000195  1.0
  Ho  Ho2  1  0.33518051  0.16758944  0.75000195  1.0
  Ho  Ho3  1  0.83240902  0.66481804  0.75000140  1.0
  Ho  Ho4  1  0.16759000  0.83240978  0.25000107  1.0
  Ho  Ho5  1  0.66481977  0.83240978  0.25000107  1.0
  Lu  Lu6  1  0.66666575  0.33333051  0.25000035  1.0
  Lu  Lu7  1  0.33333337  0.66666674  0.75000272  1.0

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