HoRe2
传统材料 TRAMP-ID: mp-1102328 · Space group: P6_3/mmc (#194)
Basic Information
Formula
HoRe2
MP-ID
mp-1102328
Elements
2
Sites
12
Density
16.1309
g/cm³
Volume
221.26
ų
Cell a
5.3958
Å
Cell b
5.3958
Å
Cell c
8.7754
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
Yes
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 |
|---|---|---|---|
| 18.99 | 4.6730 | 7.8 | (1,-1,0,0) |
| 18.99 | 4.6728 | 15.7 | (1,0,-1,0) |
| 20.24 | 4.3877 | 13.9 | (0,0,0,2) |
| 21.54 | 4.1246 | 4.8 | (1,-1,0,1) |
| 21.55 | 4.1245 | 9.5 | (1,0,-1,1) |
| 33.21 | 2.6979 | 47.0 | (2,-1,-1,0) |
| 33.21 | 2.6978 | 23.5 | (1,1,-2,0) |
| 36.23 | 2.4794 | 32.2 | (1,-1,0,3) |
| 36.23 | 2.4794 | 32.2 | (1,-1,0,-3) |
| 36.23 | 2.4794 | 64.3 | (1,0,-1,3) |
| 36.23 | 2.4794 | 64.3 | (1,0,-1,-3) |
| 38.53 | 2.3365 | 9.5 | (2,-2,0,0) |
| 38.53 | 2.3364 | 19.0 | (2,0,-2,0) |
| 39.20 | 2.2982 | 100.0 | (2,-1,-1,2) |
| 39.20 | 2.2982 | 100.0 | (2,-1,-1,-2) |
| 39.20 | 2.2981 | 100.0 | (1,1,-2,2) |
| 39.93 | 2.2578 | 45.6 | (2,-2,0,1) |
| 39.93 | 2.2578 | 45.6 | (2,-2,0,-1) |
| 39.93 | 2.2577 | 91.1 | (2,0,-2,1) |
| 39.93 | 2.2577 | 91.1 | (2,0,-2,-1) |
| 41.15 | 2.1939 | 66.4 | (0,0,0,4) |
| 43.90 | 2.0623 | 12.1 | (2,-2,0,2) |
| 43.90 | 2.0623 | 12.1 | (2,-2,0,-2) |
| 43.90 | 2.0623 | 24.2 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
-0.30499
eV/atom
Energy/atom
-46.20585
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-46.2059
eV/atom
Volume/atom
18.44
ų
c/a Ratio
1.6263
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Re · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102328
Reference Citation
The crystal structure and related material properties of HoRe2 were obtained from the Materials Project database (MP-ID: mp-1102328, 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_HoRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39582788
_cell_length_b 5.39582788
_cell_length_c 8.77543979
_cell_angle_alpha 90.00001600
_cell_angle_beta 89.99998400
_cell_angle_gamma 120.00299197
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoRe2
_chemical_formula_sum 'Ho4 Re8'
_cell_volume 221.25984500
_cell_formula_units_Z 4
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 0.66665719 0.33334281 0.56251993 1.0
Ho Ho1 1 0.33334282 0.66665718 0.43747711 1.0
Ho Ho2 1 0.33334280 0.66665720 0.06252264 1.0
Ho Ho3 1 0.66665722 0.33334278 0.93748121 1.0
Re Re4 1 0.00000004 -0.00000004 0.49999185 1.0
Re Re5 1 0.00000004 -0.00000004 0.00000817 1.0
Re Re6 1 0.17091840 0.34184776 0.75000091 1.0
Re Re7 1 0.17093639 0.82906361 0.75000096 1.0
Re Re8 1 0.65815224 0.82908160 0.75000091 1.0
Re Re9 1 0.82907940 0.65814675 0.24999912 1.0
Re Re10 1 0.82906221 0.17093779 0.24999908 1.0
Re Re11 1 0.34185325 0.17092060 0.24999912 1.0
