Ho3Sb

Traditional Materials TRA

MP-ID: mp-982018 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ho3Sb

MP-ID

mp-982018

Elements

Sites

Density

9.2297

g/cm³

Volume

110.93

Å³

Cell a

6.1458

Cell b

6.1458

Cell c

6.1458

α Angle

135.89

β Angle

135.89

γ Angle

64.15

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 13)

2θ	d (Å)	I	hkl
21.05	4.2195	1.3	(1,0,-1)
32.37	2.7653	100.0	(2,0,-1)
34.44	2.6039	21.2	(2,2,-2)
39.03	2.3076	30.1	(1,-1,1)
53.02	1.7270	24.9	(3,1,-3)
56.39	1.6317	10.3	(2,-2,0)
60.40	1.5326	16.8	(3,3,-4)
66.54	1.4053	25.1	(3,-1,-2)
67.77	1.3827	11.9	(4,0,-2)
72.62	1.3019	2.4	(4,4,-4)
83.85	1.1538	3.4	(2,-2,2)
85.67	1.1339	6.4	(5,3,-5)
87.28	1.1171	12.4	(5,1,-4)

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Energy Properties

Formation Energy/atom

-0.55000

eV/atom

Energy/atom

-31.63759

eV/atom

Energy above Hull

0.1424

eV/atom

Uncorrected Energy

-4.9281

eV/atom

Volume/atom

27.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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

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

0.626

Family

Binary Alloy

Matrix Element

Ho · 0.750

Related Tasks

Related computation task IDs (5)

aaadctjh aaadmgdz aaadvzla aaaesmco aaafyhxw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982018

Reference Citation

The crystal structure and related material properties of Ho3Sb were obtained from the Materials Project database (MP-ID: mp-982018, 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_Ho3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14575666
_cell_length_b   6.14575666
_cell_length_c   6.14575666
_cell_angle_alpha   135.89192782
_cell_angle_beta   135.89192782
_cell_angle_gamma   64.14746081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Sb
_chemical_formula_sum   'Ho3 Sb1'
_cell_volume   110.92576850
_cell_formula_units_Z   1
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  0.75000000  0.25000000  0.50000000  1.0
  Ho  Ho1  1  0.25000000  0.75000000  0.50000000  1.0
  Ho  Ho2  1  0.50000000  0.50000000  0.00000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  0.00000000  1.0

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