HoSb3

Traditional Materials TRA

MP-ID: mp-976679 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoSb3

MP-ID

mp-976679

Elements

Sites

Density

8.0895

g/cm³

Volume

217.67

Å³

Cell a

6.5435

Cell b

6.5435

Cell c

5.8702

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 20)

2θ	d (Å)	I	hkl
15.64	5.6669	3.2	(1,0,-1,0)
30.46	2.9351	33.2	(0,0,0,2)
31.58	2.8334	22.3	(2,0,-2,0)
35.17	2.5517	100.0	(2,0,-2,1)
44.44	2.0385	17.3	(2,0,-2,2)
45.06	2.0121	2.0	(3,-1,-2,1)
56.23	1.6359	5.5	(2,2,-4,0)
56.23	1.6359	11.0	(4,-2,-2,0)
57.21	1.6101	24.3	(2,0,-2,3)
63.38	1.4676	4.0	(0,0,0,4)
65.30	1.4289	20.9	(4,-2,-2,2)
65.93	1.4167	1.7	(4,0,-4,0)
68.08	1.3772	9.1	(4,0,-4,1)
68.08	1.3772	4.6	(4,-4,0,1)
72.54	1.3031	4.0	(2,0,-2,4)
74.35	1.2759	2.3	(4,0,-4,2)
74.35	1.2759	1.2	(4,-4,0,2)
84.41	1.1475	7.7	(4,0,-4,3)
89.77	1.0924	3.1	(2,2,-4,4)
89.77	1.0924	6.2	(4,-2,-2,4)

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Energy Properties

Formation Energy/atom

-0.52738

eV/atom

Energy/atom

-28.02746

eV/atom

Energy above Hull

0.1439

eV/atom

Uncorrected Energy

-4.6228

eV/atom

Volume/atom

27.21

Å³

c/a Ratio

0.8971

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

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

Sb · 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

0.545

Family

Binary Alloy

Matrix Element

Sb · 0.750

Related Tasks

Related computation task IDs (5)

aaadcblm aaadokcf aaadvrdy aaaeqbij aaafbhhf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-976679

Reference Citation

The crystal structure and related material properties of HoSb3 were obtained from the Materials Project database (MP-ID: mp-976679, 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_HoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54351729
_cell_length_b   6.54351729
_cell_length_c   5.87018800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoSb3
_chemical_formula_sum   'Ho2 Sb6'
_cell_volume   217.67331040
_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  0.66666700  0.75000000  1.0
  Ho  Ho1  1  0.66666700  0.33333300  0.25000000  1.0
  Sb  Sb2  1  0.17518600  0.35037200  0.25000000  1.0
  Sb  Sb3  1  0.64962800  0.82481400  0.25000000  1.0
  Sb  Sb4  1  0.17518600  0.82481400  0.25000000  1.0
  Sb  Sb5  1  0.82481400  0.64962800  0.75000000  1.0
  Sb  Sb6  1  0.35037200  0.17518600  0.75000000  1.0
  Sb  Sb7  1  0.82481400  0.17518600  0.75000000  1.0

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