HoGa3

Traditional Materials TRA

MP-ID: mp-973850 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

HoGa3

MP-ID

mp-973850

Elements

Sites

Density

8.3181

g/cm³

Volume

373.41

Å³

Cell a

12.1850

Cell b

12.1850

Cell c

12.1850

α Angle

28.89

β Angle

28.89

γ Angle

28.89

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

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
17.59	5.0413	1.6	(1,1,0)
19.68	4.5111	7.6	(2,1,1)
19.68	4.5111	3.8	(1,1,2)
21.11	4.2076	5.8	(2,2,1)
24.55	3.6257	25.0	(3,2,2)
26.49	3.3651	24.8	(3,3,2)
29.39	3.0394	27.3	(1,0,-1)
30.67	2.9150	7.6	(4,3,3)
32.89	2.7234	2.3	(4,4,3)
34.16	2.6248	7.8	(1,1,-1)
34.46	2.6029	15.9	(2,0,0)
34.46	2.6029	7.9	(0,0,2)
35.62	2.5206	70.1	(2,2,0)
36.47	2.4638	36.0	(3,1,1)
38.58	2.3337	72.3	(5,5,5)
38.66	2.3292	100.0	(3,3,1)
39.97	2.2556	64.5	(4,2,2)
39.97	2.2556	32.2	(2,2,4)
42.99	2.1038	27.4	(4,4,2)
44.68	2.0283	34.5	(5,3,3)
45.90	1.9770	6.7	(2,1,-1)
46.82	1.9402	7.4	(3,1,0)
47.41	1.9177	1.4	(6,6,5)
47.51	1.9140	1.5	(3,2,0)

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Energy Properties

Formation Energy/atom

-0.54393

eV/atom

Energy/atom

-3.96443

eV/atom

Energy above Hull

0.0155

eV/atom

Uncorrected Energy

-17.3626

eV/atom

Volume/atom

18.67

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

Elastic data not available

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

0.631

Family

Binary Alloy

Matrix Element

Ga · 0.750

Related Tasks

Related computation task IDs (4)

aaadnjpy aaadtfag aaaekwhz aaaetnke

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973850

Reference Citation

The crystal structure and related material properties of HoGa3 were obtained from the Materials Project database (MP-ID: mp-973850, 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

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Raw CIF Data

# generated using pymatgen
data_HoGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.18504118
_cell_length_b   12.18504118
_cell_length_c   12.18504098
_cell_angle_alpha   28.88828151
_cell_angle_beta   28.88828151
_cell_angle_gamma   28.88828290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGa3
_chemical_formula_sum   'Ho5 Ga15'
_cell_volume   373.40885043
_cell_formula_units_Z   5
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  0.12956446  0.12956446  0.12956446  1.0
  Ho  Ho1  1  0.87043554  0.87043554  0.87043554  1.0
  Ho  Ho2  1  0.40030567  0.40030567  0.40030567  1.0
  Ho  Ho3  1  0.59969433  0.59969433  0.59969433  1.0
  Ho  Ho4  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ga  Ga5  1  0.44221297  0.87814287  0.87814287  1.0
  Ga  Ga6  1  0.87814287  0.87814287  0.44221297  1.0
  Ga  Ga7  1  0.87814287  0.44221297  0.87814287  1.0
  Ga  Ga8  1  0.12185713  0.55778703  0.12185713  1.0
  Ga  Ga9  1  0.12185713  0.12185713  0.55778703  1.0
  Ga  Ga10  1  0.55778703  0.12185713  0.12185713  1.0
  Ga  Ga11  1  0.13072527  0.63596907  0.63596907  1.0
  Ga  Ga12  1  0.63596907  0.63596907  0.13072527  1.0
  Ga  Ga13  1  0.63596907  0.13072527  0.63596907  1.0
  Ga  Ga14  1  0.36403093  0.86927473  0.36403093  1.0
  Ga  Ga15  1  0.36403093  0.36403093  0.86927473  1.0
  Ga  Ga16  1  0.86927473  0.36403093  0.36403093  1.0
  Ga  Ga17  1  0.50000000  0.50000000  -0.00000000  1.0
  Ga  Ga18  1  0.50000000  -0.00000000  0.50000000  1.0
  Ga  Ga19  1  0.00000000  0.50000000  0.50000000  1.0

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