HoSe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018728 · Space group: P4/nmm (#129)
Basic Information
Formula
HoSe2
MP-ID
mp-1018728
Elements
2
Sites
6
Density
7.9261
g/cm³
Volume
135.28
ų
Cell a
4.0471
Å
Cell b
4.0471
Å
Cell c
8.2589
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 21.52 | 4.1295 | 12.1 | (0,0,2) |
| 24.49 | 3.6342 | 57.5 | (1,0,1) |
| 30.94 | 2.8904 | 3.4 | (1,0,2) |
| 31.26 | 2.8618 | 39.4 | (1,1,0) |
| 32.52 | 2.7530 | 29.7 | (0,0,3) |
| 33.13 | 2.7040 | 63.9 | (1,1,1) |
| 38.26 | 2.3521 | 100.0 | (1,1,2) |
| 39.59 | 2.2763 | 61.6 | (1,0,3) |
| 43.85 | 2.0647 | 5.5 | (0,0,4) |
| 44.79 | 2.0236 | 57.1 | (2,0,0) |
| 45.73 | 1.9840 | 2.7 | (1,1,3) |
| 49.56 | 1.8392 | 5.2 | (1,0,4) |
| 50.21 | 1.8171 | 5.4 | (2,0,2) |
| 51.70 | 1.7680 | 15.8 | (2,1,1) |
| 55.43 | 1.6577 | 1.2 | (2,1,2) |
| 56.43 | 1.6305 | 24.3 | (2,0,3) |
| 60.54 | 1.5293 | 15.6 | (1,0,5) |
| 61.29 | 1.5124 | 34.1 | (2,1,3) |
| 64.48 | 1.4452 | 7.0 | (2,0,4) |
| 65.20 | 1.4309 | 18.5 | (2,2,0) |
| 65.22 | 1.4306 | 7.2 | (1,1,5) |
| 69.00 | 1.3610 | 3.9 | (2,1,4) |
| 69.53 | 1.3520 | 2.1 | (2,2,2) |
| 70.76 | 1.3314 | 3.1 | (3,0,1) |
Energy Properties
Formation Energy/atom
-1.76760
eV/atom
Energy/atom
-22.26909
eV/atom
Energy above Hull
0.0532
eV/atom
Uncorrected Energy
-22.2691
eV/atom
Volume/atom
22.55
ų
c/a Ratio
2.0407
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
77.657
GPa
GVRH
40.426
GPa
Young's Modulus E
103.345
GPa
Poisson Ratio ν
0.278
Pugh Ratio K/G
1.921
Vickers Hardness Est.
5.114
GPa
Ductility
Brittle
Anisotropy
0.196
Lame λ
50.706
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Se · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.587
Family
Binary Alloy
Matrix Element
Se · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1960
Homogeneous Poisson ν
0.2780
Homogeneity
0.2780
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018728
Reference Citation
The crystal structure and related material properties of HoSe2 were obtained from the Materials Project database (MP-ID: mp-1018728, 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_HoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04713844
_cell_length_b 4.04713844
_cell_length_c 8.25891843
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoSe2
_chemical_formula_sum 'Ho2 Se4'
_cell_volume 135.27554671
_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 0.75000000 0.75000000 0.72680802 1.0
Ho Ho1 1 0.25000000 0.25000000 0.27319198 1.0
Se Se2 1 0.75000000 0.75000000 0.36986829 1.0
Se Se3 1 0.25000000 0.25000000 0.63013171 1.0
Se Se4 1 0.75000000 0.25000000 -0.00000000 1.0
Se Se5 1 0.25000000 0.75000000 -0.00000000 1.0
