PrHo3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-975658 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

PrHo3

MP-ID

mp-975658

Elements

Sites

Density

7.8966

g/cm³

Volume

267.36

Å³

Cell a

7.2878

Cell b

7.2878

Cell c

5.8125

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
28.28	3.1557	35.2	(2,0,-2,0)
30.77	2.9063	37.9	(0,0,0,2)
32.28	2.7733	50.0	(2,-2,0,1)
32.28	2.7733	100.0	(2,0,-2,1)
42.28	2.1378	23.9	(2,0,-2,2)
50.06	1.8220	19.5	(4,-2,-2,0)
50.06	1.8220	9.8	(2,2,-4,0)
55.67	1.6511	21.4	(2,-2,0,3)
55.67	1.6511	10.7	(2,0,-2,3)
58.50	1.5779	1.5	(4,-4,0,0)
58.50	1.5779	1.5	(0,4,-4,0)
58.50	1.5779	1.5	(4,0,-4,0)
59.92	1.5437	22.8	(4,-2,-2,2)
59.92	1.5437	11.4	(2,2,-4,2)
60.83	1.5228	8.1	(4,-4,0,1)
60.83	1.5228	16.3	(4,0,-4,1)
64.08	1.4531	4.7	(0,0,0,4)
67.55	1.3867	2.0	(4,-4,0,2)
67.55	1.3867	4.0	(4,0,-4,2)
71.47	1.3199	5.1	(2,0,-2,4)
78.12	1.2235	4.0	(4,-4,0,3)
78.12	1.2235	7.9	(4,0,-4,3)
80.53	1.1928	1.2	(6,-4,-2,0)
80.53	1.1928	1.2	(4,2,-6,0)

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Energy Properties

Formation Energy/atom

0.01316

eV/atom

Energy/atom

-31.99883

eV/atom

Energy above Hull

0.0132

eV/atom

Uncorrected Energy

-31.9988

eV/atom

Volume/atom

33.42

Å³

c/a Ratio

0.7976

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8800

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.018250

μB/Å³

Elastic Properties

K_VRH

39.752

GPa

G_VRH

23.682

GPa

Young's Modulus E

59.275

GPa

Poisson Ratio ν

0.251

Pugh Ratio K/G

1.679

Vickers Hardness Est.

3.948

GPa

Ductility

Ductile

Anisotropy

0.051

Lame λ

23.964

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

0.633

Family

Binary Alloy

Matrix Element

Ho · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0510

Homogeneous Poisson ν

0.2510

Homogeneity

0.2510

Related Tasks

Related computation task IDs (4)

aaadqeil aaadvglf aaaekzoj aaaeploq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975658

Reference Citation

The crystal structure and related material properties of PrHo3 were obtained from the Materials Project database (MP-ID: mp-975658, 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_PrHo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28780835
_cell_length_b   7.28780881
_cell_length_c   5.81252748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrHo3
_chemical_formula_sum   'Pr2 Ho6'
_cell_volume   267.35572949
_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
  Pr  Pr0  1  0.66666600  0.33333200  0.25000100  1.0
  Pr  Pr1  1  0.33333400  0.66666800  0.75000100  1.0
  Ho  Ho2  1  0.83605444  0.67210987  0.75000100  1.0
  Ho  Ho3  1  0.83605344  0.16394656  0.75000100  1.0
  Ho  Ho4  1  0.32789113  0.16394656  0.75000100  1.0
  Ho  Ho5  1  0.67210887  0.83605444  0.25000100  1.0
  Ho  Ho6  1  0.16394556  0.83605444  0.25000100  1.0
  Ho  Ho7  1  0.16394556  0.32789013  0.25000100  1.0

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