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HoO3

Elasticity Data ELA

MP-ID: mp-1025565 · Space group: P6_3/m (#176)

Materials Project API

Basic Information

Formula
HoO3
MP-ID
mp-1025565
Elements
2
Sites
8
Density
5.7014
g/cm³
Volume
124.03
ų
Cell a
6.4879
Å
Cell b
6.4879
Å
Cell c
3.4024
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/m
Point Group
6/m
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.77 5.6187 100.0 (1,0,-1,0)
27.50 3.2440 63.3 (2,-1,-1,0)
30.72 2.9104 78.2 (1,0,-1,1)
31.85 2.8094 7.7 (2,0,-2,0)
38.34 2.3479 2.7 (2,-1,-1,1)
41.69 2.1663 44.9 (2,0,-2,1)
42.57 2.1237 13.1 (3,-1,-2,0)
48.61 1.8729 21.0 (3,0,-3,0)
50.67 1.8016 55.3 (3,-1,-2,1)
53.89 1.7012 6.7 (0,0,0,2)
56.52 1.6282 6.8 (1,0,-1,2)
56.76 1.6220 6.5 (4,-2,-2,0)
56.76 1.6220 3.3 (2,2,-4,0)
59.30 1.5584 6.1 (4,-1,-3,0)
61.55 1.5066 14.3 (2,-1,-1,2)
63.98 1.4552 2.5 (2,0,-2,2)
65.93 1.4168 18.5 (4,-1,-3,1)
66.57 1.4047 2.4 (4,0,-4,0)
70.99 1.3277 5.7 (3,-1,-2,2)
72.85 1.2984 5.3 (4,0,-4,1)
73.46 1.2890 2.0 (5,-2,-3,0)
75.50 1.2593 11.0 (3,0,-3,2)
77.92 1.2261 9.4 (5,-1,-4,0)
79.52 1.2054 13.0 (5,-2,-3,1)
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Energy Properties

Formation Energy/atom
-2.06274
eV/atom
Energy/atom
-6.92313
eV/atom
Energy above Hull
0.4545
eV/atom
Uncorrected Energy
-6.4079
eV/atom
Volume/atom
15.50
ų
c/a Ratio
0.5244

Electronic Properties

Metallic
Non-metal
Band Gap
0.189
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
6.0008
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.048380
μB/ų

Elastic Properties

KVRH
71.744
GPa
GVRH
29.665
GPa
Young's Modulus E
78.215
GPa
Poisson Ratio ν
0.318
Pugh Ratio K/G
2.418
Vickers Hardness Est.
2.171
GPa
Ductility
Brittle
Anisotropy
0.897
Lame λ
51.967
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.750
Element Family
Metalloid-Nonmetal
Solute Fraction
0.250
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8970
Homogeneous Poisson ν
0.3180
Homogeneity
0.3180

Related Tasks

Related computation task IDs (5)
aaadoevo aaadvuxt aaaecucq aaaeqduj aaafbawr

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025565
Reference Citation

The crystal structure and related material properties of HoO3 were obtained from the Materials Project database (MP-ID: mp-1025565, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_HoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48793206
_cell_length_b   6.48793206
_cell_length_c   3.40243000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoO3
_chemical_formula_sum   'Ho2 O6'
_cell_volume   124.03161964
_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
  O  O2  1  0.94205100  0.57547800  0.75000000  1.0
  O  O3  1  0.05794900  0.42452200  0.25000000  1.0
  O  O4  1  0.63342700  0.05794900  0.75000000  1.0
  O  O5  1  0.36657300  0.94205100  0.25000000  1.0
  O  O6  1  0.42452200  0.36657300  0.75000000  1.0
  O  O7  1  0.57547800  0.63342700  0.25000000  1.0
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