HoNi2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-673 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

HoNi2

MP-ID

mp-673

Elements

Sites

Density

10.6318

g/cm³

Volume

88.19

Å³

Cell a

4.9962

Cell b

4.9962

Cell c

4.9962

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

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
21.79	4.0794	10.3	(1,1,1)
21.79	4.0794	20.6	(0,1,0)
21.79	4.0794	10.3	(1,0,0)
35.95	2.4981	32.4	(1,2,1)
35.95	2.4981	32.4	(1,1,2)
35.95	2.4981	32.4	(0,1,-1)
35.95	2.4981	32.4	(2,1,1)
35.95	2.4981	64.8	(1,0,-1)
42.43	2.1304	25.0	(1,2,2)
42.43	2.1304	100.0	(1,2,0)
42.43	2.1304	25.0	(0,2,1)
42.43	2.1304	75.0	(0,1,2)
42.43	2.1304	75.0	(2,1,0)
44.41	2.0397	11.3	(2,2,2)
44.41	2.0397	22.5	(0,2,0)
44.41	2.0397	11.3	(2,0,0)
51.75	1.7664	1.7	(2,2,0)
56.80	1.6210	1.8	(0,2,-1)
56.80	1.6210	1.8	(1,0,-2)
56.80	1.6210	1.8	(2,0,-1)
64.62	1.4423	5.9	(2,3,3)
64.62	1.4423	11.8	(3,3,2)
64.62	1.4423	5.9	(1,3,0)
64.62	1.4423	5.9	(1,0,3)

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Energy Properties

Formation Energy/atom

-0.45933

eV/atom

Energy/atom

-5.84531

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.3822

eV/atom

Volume/atom

14.70

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

124.103

GPa

G_VRH

47.113

GPa

Young's Modulus E

125.463

GPa

Poisson Ratio ν

0.332

Pugh Ratio K/G

2.634

Vickers Hardness Est.

3.133

GPa

Ductility

Brittle

Anisotropy

0.240

Lame λ

92.694

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Ni-based Alloy

Matrix Element

Ni · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2400

Homogeneous Poisson ν

0.3320

Debye Temperature

384.4

Sound Velocity

2,360.9

m/s

Homogeneity

0.3320

Related Tasks

Related computation task IDs (5)

aaacjbbi aaadrzbn aaaemrqg aaaeusmf aaafjisr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673

Reference Citation

The crystal structure and related material properties of HoNi2 were obtained from the Materials Project database (MP-ID: mp-673, 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_HoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99621901
_cell_length_b   4.99622441
_cell_length_c   4.99622390
_cell_angle_alpha   59.99996820
_cell_angle_beta   59.99993566
_cell_angle_gamma   59.99993640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoNi2
_chemical_formula_sum   'Ho2 Ni4'
_cell_volume   88.18805716
_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  0.12499900  0.12500000  0.12500000  1.0
  Ho  Ho1  1  0.87500100  0.87500000  0.87500000  1.0
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  -0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  -0.00000000  1.0

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