Ho3Pu

Traditional Materials TRA

MP-ID: mp-1006115 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ho3Pu

MP-ID

mp-1006115

Elements

Sites

Density

10.0742

g/cm³

Volume

121.78

Å³

Cell a

4.9566

Cell b

4.9566

Cell c

4.9566

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
17.90	4.9566	2.6	(1,0,0)
25.41	3.5049	2.3	(1,1,0)
31.26	2.8617	100.0	(1,1,1)
36.25	2.4783	50.7	(2,0,0)
40.70	2.2167	1.5	(2,1,0)
44.79	2.0235	1.1	(2,1,1)
52.20	1.7524	36.2	(2,2,0)
62.11	1.4945	43.2	(3,1,1)
65.20	1.4309	12.4	(2,2,2)
76.94	1.2392	5.8	(4,0,0)
85.37	1.1371	18.3	(3,3,1)
88.14	1.1083	17.2	(4,2,0)

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Energy Properties

Formation Energy/atom

0.65257

eV/atom

Energy/atom

-45.59753

eV/atom

Energy above Hull

0.6526

eV/atom

Uncorrected Energy

-6.3512

eV/atom

Volume/atom

30.44

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1456

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.001200

μB/Å³

Elastic Properties

Elastic data not available

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

0.441

Family

Binary Alloy

Matrix Element

Ho · 0.750

Related Tasks

Related computation task IDs (5)

aaadolcx aaadwfjz aaadypjt aaaespvp aaafbobg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006115

Reference Citation

The crystal structure and related material properties of Ho3Pu were obtained from the Materials Project database (MP-ID: mp-1006115, 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_Ho3Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95663700
_cell_length_b   4.95663700
_cell_length_c   4.95663700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Pu
_chemical_formula_sum   'Ho3 Pu1'
_cell_volume   121.77589871
_cell_formula_units_Z   1
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  0.00000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.50000000  0.00000000  0.50000000  1.0
  Ho  Ho2  1  0.50000000  0.50000000  0.00000000  1.0
  Pu  Pu3  1  0.00000000  0.00000000  0.00000000  1.0

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