HoAs3
Traditional Materials TRAMP-ID: mp-1184714 · Space group: P6_3/mmc (#194)
Basic Information
Formula
HoAs3
MP-ID
mp-1184714
Elements
2
Sites
8
Density
7.6223
g/cm³
Volume
169.79
ų
Cell a
5.9889
Å
Cell b
5.9889
Å
Cell c
5.4664
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.10 | 5.1865 | 4.7 | (1,-1,0,0) |
| 17.10 | 5.1865 | 9.3 | (1,0,-1,0) |
| 23.65 | 3.7625 | 3.6 | (1,-1,0,1) |
| 23.65 | 3.7625 | 7.3 | (1,0,-1,1) |
| 29.84 | 2.9944 | 7.0 | (2,-1,-1,0) |
| 32.77 | 2.7332 | 35.6 | (0,0,0,2) |
| 34.59 | 2.5933 | 7.5 | (2,-2,0,0) |
| 34.59 | 2.5933 | 14.9 | (2,0,-2,0) |
| 37.18 | 2.4180 | 4.1 | (1,0,-1,2) |
| 38.42 | 2.3430 | 100.0 | (2,0,-2,1) |
| 44.90 | 2.0187 | 3.1 | (2,-1,-1,2) |
| 44.90 | 2.0187 | 1.6 | (1,1,-2,2) |
| 48.38 | 1.8812 | 5.7 | (2,-2,0,2) |
| 48.38 | 1.8812 | 11.5 | (2,0,-2,2) |
| 49.39 | 1.8453 | 3.0 | (3,-2,-1,1) |
| 49.39 | 1.8453 | 6.0 | (3,-1,-2,1) |
| 53.29 | 1.7191 | 1.3 | (1,0,-1,3) |
| 55.77 | 1.6484 | 1.2 | (3,0,-3,1) |
| 61.98 | 1.4972 | 10.1 | (4,-2,-2,0) |
| 61.98 | 1.4972 | 5.1 | (2,2,-4,0) |
| 62.27 | 1.4909 | 8.0 | (2,-2,0,3) |
| 62.27 | 1.4909 | 16.0 | (2,0,-2,3) |
| 68.68 | 1.3666 | 4.1 | (0,0,0,4) |
| 70.57 | 1.3346 | 3.1 | (3,-1,-2,3) |
Energy Properties
Formation Energy/atom
-0.61871
eV/atom
Energy/atom
-19.86970
eV/atom
Energy above Hull
0.2806
eV/atom
Uncorrected Energy
-5.1186
eV/atom
Volume/atom
21.22
ų
c/a Ratio
0.9128
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
As · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.454
Family
Binary Alloy
Matrix Element
As · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184714
Reference Citation
The crystal structure and related material properties of HoAs3 were obtained from the Materials Project database (MP-ID: mp-1184714, 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_HoAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98887708
_cell_length_b 5.98887708
_cell_length_c 5.46634800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001190
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoAs3
_chemical_formula_sum 'Ho2 As6'
_cell_volume 169.79255925
_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
As As2 1 0.18019700 0.36039500 0.25000000 1.0
As As3 1 0.63960500 0.81980200 0.25000000 1.0
As As4 1 0.18019700 0.81980200 0.25000000 1.0
As As5 1 0.81980200 0.63960500 0.75000000 1.0
As As6 1 0.36039500 0.18019700 0.75000000 1.0
As As7 1 0.81980200 0.18019700 0.75000000 1.0
