Ho5Pb3

Traditional Materials TRA

MP-ID: mp-30730 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ho5Pb3

MP-ID

mp-30730

Elements

Sites

Density

10.5005

g/cm³

Volume

457.42

Å³

Cell a

8.9566

Cell b

8.9566

Cell c

6.5841

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

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
11.41	7.7567	4.7	(1,0,-1,0)
11.41	7.7567	9.3	(1,-1,0,0)
19.83	4.4783	2.2	(2,-1,-1,0)
19.83	4.4783	1.1	(1,-2,1,0)
24.03	3.7029	9.9	(2,-1,-1,1)
24.03	3.7029	4.9	(1,-2,1,1)
27.09	3.2921	49.1	(0,0,0,2)
29.48	3.0304	21.9	(1,0,-1,2)
30.49	2.9317	17.1	(3,-1,-2,0)
30.49	2.9317	17.1	(3,-2,-1,0)
30.49	2.9317	17.1	(2,-3,1,0)
33.46	2.6782	69.4	(3,-1,-2,1)
33.46	2.6782	69.4	(3,-2,-1,1)
33.46	2.6782	69.4	(2,-3,1,1)
33.79	2.6525	100.0	(2,-1,-1,2)
33.79	2.6525	50.0	(1,-2,1,2)
34.69	2.5856	26.9	(3,0,-3,0)
34.69	2.5856	53.9	(3,-3,0,0)
35.78	2.5098	7.4	(2,0,-2,2)
35.78	2.5098	14.7	(2,-2,0,2)
42.00	2.1513	4.4	(4,-1,-3,0)
42.00	2.1513	4.4	(4,-3,-1,0)
42.00	2.1513	4.4	(3,-4,1,0)
42.65	2.1199	16.4	(4,-2,-2,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.51690

eV/atom

Energy/atom

-4.78269

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.3563

eV/atom

Volume/atom

28.59

Å³

c/a Ratio

0.7351

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0006

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

Ho · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Ho · 0.625

Related Tasks

Related computation task IDs (5)

aaadnloz aaadrjsy aaaempax aaaetljy aaafcfwi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30730

Reference Citation

The crystal structure and related material properties of Ho5Pb3 were obtained from the Materials Project database (MP-ID: mp-30730, 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_Ho5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95661175
_cell_length_b   8.95659911
_cell_length_c   6.58411191
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99995531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Pb3
_chemical_formula_sum   'Ho10 Pb6'
_cell_volume   457.41975389
_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  0.33333300  0.66666700  -0.00000000  1.0
  Ho  Ho1  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho2  1  0.66666700  0.33333300  -0.00000000  1.0
  Ho  Ho3  1  0.33333300  0.66666700  0.50000000  1.0
  Ho  Ho4  1  0.23750667  -0.00000000  0.25000000  1.0
  Ho  Ho5  1  0.23750667  0.23750667  0.75000000  1.0
  Ho  Ho6  1  -0.00000000  0.76249333  0.75000000  1.0
  Ho  Ho7  1  0.00000000  0.23750667  0.25000000  1.0
  Ho  Ho8  1  0.76249333  0.76249333  0.25000000  1.0
  Ho  Ho9  1  0.76249333  0.00000000  0.75000000  1.0
  Pb  Pb10  1  0.60639464  0.00000000  0.25000000  1.0
  Pb  Pb11  1  0.60639464  0.60639464  0.75000000  1.0
  Pb  Pb12  1  0.00000000  0.39360536  0.75000000  1.0
  Pb  Pb13  1  -0.00000000  0.60639464  0.25000000  1.0
  Pb  Pb14  1  0.39360536  0.39360536  0.25000000  1.0
  Pb  Pb15  1  0.39360536  -0.00000000  0.75000000  1.0

Get direct link