Ho3In

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-973465 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ho3In

MP-ID

mp-973465

Elements

Sites

Density

9.0602

g/cm³

Volume

223.46

Å³

Cell a

6.7911

Cell b

6.7910

Cell c

5.5947

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
21.93	4.0536	2.7	(1,0,-1,1)
21.93	4.0536	2.7	(0,1,-1,1)
21.93	4.0536	2.7	(1,-1,0,1)
30.40	2.9407	23.2	(2,0,-2,0)
30.40	2.9406	23.2	(0,2,-2,0)
30.40	2.9406	23.2	(2,-2,0,0)
31.99	2.7974	81.6	(0,0,0,2)
34.45	2.6030	100.0	(2,0,-2,1)
34.46	2.6030	100.0	(0,2,-2,1)
34.46	2.6030	100.0	(2,-2,0,1)
44.71	2.0268	16.1	(2,0,-2,2)
44.71	2.0268	16.1	(0,2,-2,2)
44.71	2.0268	16.1	(2,-2,0,2)
54.01	1.6978	18.3	(2,2,-4,0)
54.01	1.6978	18.3	(4,-2,-2,0)
54.01	1.6978	18.3	(2,-4,2,0)
58.62	1.5749	21.6	(2,0,-2,3)
58.62	1.5749	21.6	(0,2,-2,3)
58.62	1.5749	21.6	(2,-2,0,3)
63.24	1.4703	2.8	(4,0,-4,0)
63.25	1.4703	2.8	(0,4,-4,0)
63.25	1.4703	2.8	(4,-4,0,0)
64.17	1.4514	21.7	(2,2,-4,2)
64.17	1.4514	21.7	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.23397

eV/atom

Energy/atom

-4.37202

eV/atom

Energy above Hull

0.0157

eV/atom

Uncorrected Energy

-30.6511

eV/atom

Volume/atom

27.93

Å³

c/a Ratio

0.8238

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.5872

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.011580

μB/Å³

Elastic Properties

K_VRH

49.414

GPa

G_VRH

27.113

GPa

Young's Modulus E

68.763

GPa

Poisson Ratio ν

0.268

Pugh Ratio K/G

1.823

Vickers Hardness Est.

3.830

GPa

Ductility

Brittle

Anisotropy

0.174

Lame λ

31.339

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

0.711

Family

Binary Alloy

Matrix Element

Ho · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1740

Homogeneous Poisson ν

0.2680

Debye Temperature

329.4

Sound Velocity

1,924.6

m/s

Homogeneity

0.2680

Related Tasks

Related computation task IDs (5)

aaadofta aaadvfsf aaaekyri aaaepyzw aaafbgzv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973465

Reference Citation

The crystal structure and related material properties of Ho3In were obtained from the Materials Project database (MP-ID: mp-973465, 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_Ho3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79114003
_cell_length_b   6.79101655
_cell_length_c   5.59471631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99867602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3In
_chemical_formula_sum   'Ho6 In2'
_cell_volume   223.45597403
_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  0.82889620  0.17112397  0.75000000  1.0
  Ho  Ho1  1  0.34229084  0.17114422  0.75000000  1.0
  Ho  Ho2  1  0.82886942  0.65773568  0.75000000  1.0
  Ho  Ho3  1  0.17110380  0.82887603  0.25000100  1.0
  Ho  Ho4  1  0.65770916  0.82885478  0.25000100  1.0
  Ho  Ho5  1  0.17113058  0.34226432  0.25000100  1.0
  In  In6  1  0.66667412  0.33332765  0.25000100  1.0
  In  In7  1  0.33332588  0.66667235  0.75000000  1.0

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