HoGa3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982557 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoGa3

MP-ID

mp-982557

Elements

Sites

Density

8.2627

g/cm³

Volume

150.36

Å³

Cell a

6.2258

Cell b

6.2258

Cell c

4.4795

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

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
25.86	3.4455	25.8	(1,0,-1,1)
25.86	3.4455	12.9	(1,-1,0,1)
28.68	3.1129	5.5	(1,1,-2,0)
28.68	3.1129	11.0	(2,-1,-1,0)
33.23	2.6959	38.1	(2,0,-2,0)
38.99	2.3098	100.0	(2,0,-2,1)
38.99	2.3098	50.0	(2,-2,0,1)
40.27	2.2397	32.8	(0,0,0,2)
44.46	2.0379	8.1	(3,-1,-2,0)
44.46	2.0379	4.0	(3,-2,-1,0)
49.11	1.8549	1.2	(2,1,-3,1)
49.11	1.8549	2.3	(3,-1,-2,1)
50.18	1.8181	7.3	(2,-1,-1,2)
50.80	1.7972	1.5	(3,0,-3,0)
53.17	1.7228	19.8	(2,0,-2,2)
55.06	1.6680	4.0	(3,0,-3,1)
55.06	1.6680	2.0	(3,-3,0,1)
59.38	1.5565	8.2	(2,2,-4,0)
59.38	1.5565	16.3	(4,-2,-2,0)
61.52	1.5073	7.6	(3,-1,-2,2)
61.52	1.5073	1.5	(3,-2,-1,2)
64.79	1.4390	3.1	(1,0,-1,3)
65.84	1.4184	7.0	(4,-1,-3,1)
65.84	1.4184	3.5	(4,-3,-1,1)

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Energy Properties

Formation Energy/atom

-0.55943

eV/atom

Energy/atom

-3.97992

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.3781

eV/atom

Volume/atom

18.80

Å³

c/a Ratio

0.7195

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

69.960

GPa

G_VRH

41.108

GPa

Young's Modulus E

103.125

GPa

Poisson Ratio ν

0.254

Pugh Ratio K/G

1.702

Vickers Hardness Est.

6.441

GPa

Ductility

Ductile

Anisotropy

0.464

Lame λ

42.555

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 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

0.641

Family

Binary Alloy

Matrix Element

Ga · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4640

Homogeneous Poisson ν

0.2540

Debye Temperature

336.7

Sound Velocity

2,477.5

m/s

Homogeneity

0.2540

Related Tasks

Related computation task IDs (5)

aaadohqn aaaduayk aaaemoxn aaaeqcyx aaafbcxp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982557

Reference Citation

The crystal structure and related material properties of HoGa3 were obtained from the Materials Project database (MP-ID: mp-982557, 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_HoGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22579264
_cell_length_b   6.22579275
_cell_length_c   4.47946745
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGa3
_chemical_formula_sum   'Ho2 Ga6'
_cell_volume   150.36486831
_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  0.33333300  0.66666600  0.75000100  1.0
  Ho  Ho1  1  0.66666800  0.33333400  0.24999900  1.0
  Ga  Ga2  1  0.14602411  0.29204823  0.24999900  1.0
  Ga  Ga3  1  0.70795377  0.85397689  0.24999900  1.0
  Ga  Ga4  1  0.14602411  0.85397689  0.24999900  1.0
  Ga  Ga5  1  0.85397689  0.70795177  0.75000100  1.0
  Ga  Ga6  1  0.29204823  0.14602311  0.75000100  1.0
  Ga  Ga7  1  0.85397489  0.14602311  0.75000100  1.0

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