PmHo3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-984754 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

PmHo3

MP-ID

mp-984754

Elements

Sites

Density

8.1955

g/cm³

Volume

259.26

Å³

Cell a

7.3012

Cell b

7.3008

Cell c

5.6161

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
28.23	3.1616	24.0	(2,0,-2,0)
28.23	3.1614	24.0	(0,2,-2,0)
28.23	3.1614	24.0	(2,-2,0,0)
31.87	2.8081	70.2	(0,0,0,2)
32.50	2.7550	100.0	(2,0,-2,1)
32.50	2.7549	99.9	(0,2,-2,1)
32.50	2.7549	99.9	(2,-2,0,1)
43.09	2.0995	15.4	(2,0,-2,2)
43.09	2.0995	15.4	(0,2,-2,2)
43.09	2.0995	15.4	(2,-2,0,2)
49.97	1.8253	20.0	(2,2,-4,0)
49.97	1.8253	20.0	(4,-2,-2,0)
49.97	1.8252	20.0	(2,-4,2,0)
57.19	1.6108	20.1	(2,0,-2,3)
57.19	1.6108	20.1	(0,2,-2,3)
57.19	1.6108	20.1	(2,-2,0,3)
58.38	1.5808	3.2	(4,0,-4,0)
58.38	1.5807	3.1	(0,4,-4,0)
58.38	1.5807	3.1	(4,-4,0,0)
60.50	1.5304	22.6	(2,2,-4,2)
60.50	1.5304	22.6	(4,-2,-2,2)
60.50	1.5303	22.6	(2,-4,2,2)
60.88	1.5217	16.6	(4,0,-4,1)
60.88	1.5216	16.6	(0,4,-4,1)

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Energy Properties

Formation Energy/atom

0.01189

eV/atom

Energy/atom

-32.03427

eV/atom

Energy above Hull

0.0119

eV/atom

Uncorrected Energy

-32.0343

eV/atom

Volume/atom

32.41

Å³

c/a Ratio

0.7692

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0004

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

40.295

GPa

G_VRH

24.832

GPa

Young's Modulus E

61.801

GPa

Poisson Ratio ν

0.244

Pugh Ratio K/G

1.623

Vickers Hardness Est.

4.432

GPa

Ductility

Ductile

Anisotropy

0.041

Lame λ

23.740

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

0.0410

Homogeneous Poisson ν

0.2440

Homogeneity

0.2440

Related Tasks

Related computation task IDs (5)

aaadmhmi aaaduopo aaaekzgq aaaeplfb aaafaznj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-984754

Reference Citation

The crystal structure and related material properties of PmHo3 were obtained from the Materials Project database (MP-ID: mp-984754, 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_PmHo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30115360
_cell_length_b   7.30083665
_cell_length_c   5.61614354
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99776397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmHo3
_chemical_formula_sum   'Pm2 Ho6'
_cell_volume   259.26430782
_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
  Pm  Pm0  1  0.33338694  0.66671105  0.74999900  1.0
  Pm  Pm1  1  0.66661584  0.33329033  0.24999900  1.0
  Ho  Ho2  1  0.16520988  0.33046012  0.24999900  1.0
  Ho  Ho3  1  0.66953093  0.83476407  0.24999900  1.0
  Ho  Ho4  1  0.16515685  0.83475665  0.24999900  1.0
  Ho  Ho5  1  0.83478865  0.66953587  0.74999900  1.0
  Ho  Ho6  1  0.33046921  0.16523552  0.74999900  1.0
  Ho  Ho7  1  0.83483869  0.16524339  0.74999900  1.0

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