HoLu3

Traditional Materials TRA

MP-ID: mp-1184930 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoLu3

MP-ID

mp-1184930

Elements

Sites

Density

9.6323

g/cm³

Volume

237.84

Å³

Cell a

7.0870

Cell b

7.0870

Cell c

5.4681

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
29.10	3.0688	34.0	(2,0,-2,0)
29.10	3.0688	34.0	(0,2,-2,0)
29.10	3.0687	34.0	(2,-2,0,0)
32.76	2.7341	100.0	(0,0,0,2)
33.48	2.6762	70.8	(2,0,-2,1)
33.49	2.6762	70.8	(2,-2,0,1)
33.49	2.6761	70.8	(0,2,-2,-1)
33.49	2.6761	70.8	(0,2,-2,1)
33.49	2.6761	70.8	(2,0,-2,-1)
33.49	2.6761	70.7	(2,-2,0,-1)
44.38	2.0414	10.9	(2,-2,0,2)
44.38	2.0414	10.9	(2,0,-2,2)
44.38	2.0414	10.9	(0,2,-2,-2)
44.38	2.0414	10.9	(0,2,-2,2)
44.38	2.0414	10.9	(2,0,-2,-2)
44.38	2.0414	10.9	(2,-2,0,-2)
51.59	1.7718	28.1	(2,2,-4,0)
51.59	1.7717	28.1	(4,-2,-2,0)
51.59	1.7717	28.1	(2,-4,2,0)
58.93	1.5671	14.2	(2,-2,0,3)
58.93	1.5671	14.2	(2,0,-2,3)
58.94	1.5671	14.2	(0,2,-2,-3)
58.94	1.5671	14.2	(0,2,-2,3)
58.94	1.5671	14.2	(2,0,-2,-3)

Get direct link

Energy Properties

Formation Energy/atom

0.00137

eV/atom

Energy/atom

-36.77887

eV/atom

Energy above Hull

0.0014

eV/atom

Uncorrected Energy

-36.7789

eV/atom

Volume/atom

29.73

Å³

c/a Ratio

0.7716

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

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

Lu · 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

Lu · 0.750

Related Tasks

Related computation task IDs (5)

aaadoici aaadvgjh aaaekwfb aaaeqhki aaafbgbz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184930

Reference Citation

The crystal structure and related material properties of HoLu3 were obtained from the Materials Project database (MP-ID: mp-1184930, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_HoLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08695997
_cell_length_b   7.08694943
_cell_length_c   5.46813777
_cell_angle_alpha   90.00125720
_cell_angle_beta   89.99839410
_cell_angle_gamma   119.99968030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoLu3
_chemical_formula_sum   'Ho2 Lu6'
_cell_volume   237.84322885
_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  0.33332517  0.66665203  0.74997478  1.0
  Ho  Ho1  1  0.66667584  0.33334867  0.25002486  1.0
  Lu  Lu2  1  0.16619326  0.33240191  0.24999943  1.0
  Lu  Lu3  1  0.66757995  0.83378680  0.24998112  1.0
  Lu  Lu4  1  0.16622129  0.83381140  0.24999114  1.0
  Lu  Lu5  1  0.83380987  0.66760164  0.74999910  1.0
  Lu  Lu6  1  0.33241462  0.16620913  0.75001490  1.0
  Lu  Lu7  1  0.83378401  0.16618842  0.75000967  1.0

Get direct link