HoOs3
传统材料 TRAMP-ID: mp-1184920 · Space group: P6_3/mmc (#194)
Basic Information
Formula
HoOs3
MP-ID
mp-1184920
Elements
2
Sites
8
Density
18.0085
g/cm³
Volume
135.66
ų
Cell a
5.8198
Å
Cell b
5.8198
Å
Cell c
4.6250
Å
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
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.60 | 5.0401 | 1.4 | (1,0,-1,0) |
| 35.63 | 2.5201 | 16.0 | (2,0,-2,0) |
| 35.63 | 2.5201 | 8.0 | (2,-2,0,0) |
| 38.95 | 2.3125 | 25.6 | (0,0,0,2) |
| 40.78 | 2.2129 | 100.0 | (2,0,-2,1) |
| 53.80 | 1.7038 | 15.0 | (2,0,-2,2) |
| 58.45 | 1.5791 | 1.1 | (3,0,-3,1) |
| 63.99 | 1.4550 | 5.8 | (2,2,-4,0) |
| 63.99 | 1.4550 | 11.6 | (4,-2,-2,0) |
| 71.78 | 1.3151 | 12.8 | (2,0,-2,3) |
| 71.78 | 1.3151 | 6.4 | (2,-2,0,3) |
| 75.44 | 1.2600 | 1.8 | (4,0,-4,0) |
| 77.51 | 1.2315 | 6.7 | (2,2,-4,2) |
| 77.51 | 1.2315 | 13.4 | (4,-2,-2,2) |
| 78.71 | 1.2157 | 9.5 | (4,0,-4,1) |
| 78.71 | 1.2157 | 4.8 | (4,-4,0,1) |
| 83.63 | 1.1562 | 2.9 | (0,0,0,4) |
| 88.34 | 1.1064 | 2.5 | (4,0,-4,2) |
| 88.34 | 1.1064 | 1.2 | (4,-4,0,2) |
Energy Properties
Formation Energy/atom
0.31686
eV/atom
Energy/atom
-47.64240
eV/atom
Energy above Hull
0.6247
eV/atom
Uncorrected Energy
-9.1876
eV/atom
Volume/atom
16.96
ų
c/a Ratio
0.7947
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0129
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000100
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Os · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184920
Reference Citation
The crystal structure and related material properties of HoOs3 were obtained from the Materials Project database (MP-ID: mp-1184920, 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_HoOs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81979721
_cell_length_b 5.81979721
_cell_length_c 4.62496600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999101
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoOs3
_chemical_formula_sum 'Ho2 Os6'
_cell_volume 135.66097041
_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
Os Os2 1 0.15862900 0.31725800 0.25000000 1.0
Os Os3 1 0.68274200 0.84137100 0.25000000 1.0
Os Os4 1 0.15862900 0.84137100 0.25000000 1.0
Os Os5 1 0.84137100 0.68274200 0.75000000 1.0
Os Os6 1 0.31725800 0.15862900 0.75000000 1.0
Os Os7 1 0.84137100 0.15862900 0.75000000 1.0
