HoLu(Re2Si)4
High-Entropy Materials HEAMP-ID: mp-3292088 · Space group: Cmmm (#65)
Basic Information
Formula
HoLu(Re2Si)4
MP-ID
mp-3292088
Elements
4
Sites
14
Density
14.5166
g/cm³
Volume
222.13
ų
Cell a
7.3426
Å
Cell b
7.3426
Å
Cell c
4.1203
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.50
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
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 |
|---|---|---|---|
| 17.00 | 5.2145 | 23.3 | (1,-1,0) |
| 17.15 | 5.1694 | 25.4 | (1,1,0) |
| 24.24 | 3.6712 | 4.6 | (2,0,0) |
| 24.24 | 3.6712 | 4.6 | (0,2,0) |
| 24.78 | 3.5932 | 3.8 | (1,0,1) |
| 27.06 | 3.2950 | 3.7 | (2,-1,0) |
| 27.25 | 3.2723 | 2.6 | (2,1,0) |
| 27.59 | 3.2329 | 53.4 | (1,-1,1) |
| 27.69 | 3.2220 | 51.0 | (1,1,1) |
| 34.40 | 2.6072 | 1.4 | (2,-2,0) |
| 34.71 | 2.5847 | 2.1 | (2,2,0) |
| 34.86 | 2.5734 | 100.0 | (2,-1,1) |
| 35.02 | 2.5625 | 95.5 | (2,1,1) |
| 38.68 | 2.3279 | 65.3 | (3,-1,0) |
| 38.89 | 2.3158 | 62.5 | (3,1,0) |
| 40.96 | 2.2032 | 83.8 | (2,-2,1) |
| 41.23 | 2.1896 | 92.5 | (2,2,1) |
| 42.98 | 2.1042 | 2.4 | (3,0,1) |
| 43.95 | 2.0602 | 82.8 | (0,0,2) |
| 44.30 | 2.0446 | 12.5 | (3,-2,0) |
| 44.68 | 2.0283 | 10.3 | (3,2,0) |
| 44.71 | 2.0268 | 49.9 | (3,-1,1) |
| 44.90 | 2.0188 | 44.1 | (3,1,1) |
| 47.45 | 1.9160 | 3.5 | (1,-1,2) |
Energy Properties
Formation Energy/atom
-0.53577
eV/atom
Energy/atom
-38.06014
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0601
eV/atom
Volume/atom
15.87
ų
c/a Ratio
0.5612
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
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
Re · 0.571
Element Family
5d-TM
Solute Fraction
0.429
Interstitial Fraction
0.286
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0547
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7689
J/mol·K
Ω Parameter
18.5342
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.095%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2276
smaller = more stable mixing
VEC
6.071
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.287
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7608
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292088
Reference Citation
The crystal structure and related material properties of HoLu(Re2Si)4 were obtained from the Materials Project database (MP-ID: mp-3292088, 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_HoLu(Re2Si)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34257732
_cell_length_b 7.34257657
_cell_length_c 4.12029435
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.49687730
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoLu(Re2Si)4
_chemical_formula_sum 'Ho1 Lu1 Re8 Si4'
_cell_volume 222.13087351
_cell_formula_units_Z 1
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 0.00000000 0.00000000 0.50000000 1.0
Lu Lu1 1 0.50000000 0.50000000 0.00000000 1.0
Re Re2 1 0.65691455 0.90335963 0.00000000 1.0
Re Re3 1 0.16008772 0.59245340 0.50000000 1.0
Re Re4 1 0.09664037 0.34308545 0.00000000 1.0
Re Re5 1 0.90335963 0.65691455 0.00000000 1.0
Re Re6 1 0.40754660 0.83991228 0.50000000 1.0
Re Re7 1 0.59245340 0.16008772 0.50000000 1.0
Re Re8 1 0.34308545 0.09664037 0.00000000 1.0
Re Re9 1 0.83991228 0.40754660 0.50000000 1.0
Si Si10 1 0.20966808 0.79033192 0.00000000 1.0
Si Si11 1 0.79033192 0.20966808 0.00000000 1.0
Si Si12 1 0.70641273 0.70641273 0.50000000 1.0
Si Si13 1 0.29358727 0.29358727 0.50000000 1.0
