Ho13Lu7(CoBi2)4
High-Entropy Materials HEAMP-ID: mp-3292810 · Space group: P1 (#1)
Basic Information
Formula
Ho13Lu7(CoBi2)4
MP-ID
mp-3292810
Elements
4
Sites
32
Density
10.3001
g/cm³
Volume
850.64
ų
Cell a
7.8960
Å
Cell b
8.7478
Å
Cell c
12.3153
Å
α Angle
89.95
°
β Angle
89.92
°
γ Angle
90.05
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 13.31 | 6.6512 | 1.8 | (1,0,1) |
| 13.33 | 6.6430 | 1.5 | (1,0,-1) |
| 18.26 | 4.8589 | 3.5 | (1,0,2) |
| 18.28 | 4.8525 | 3.3 | (1,0,-2) |
| 20.30 | 4.3739 | 11.6 | (0,2,0) |
| 22.52 | 3.9480 | 17.4 | (2,0,0) |
| 23.66 | 3.7610 | 2.3 | (2,0,1) |
| 23.68 | 3.7580 | 2.4 | (2,0,-1) |
| 24.43 | 3.6443 | 6.8 | (1,0,3) |
| 24.45 | 3.6402 | 6.3 | (1,0,-3) |
| 25.78 | 3.4559 | 4.3 | (2,-1,1) |
| 25.79 | 3.4546 | 4.6 | (2,1,1) |
| 25.79 | 3.4543 | 4.5 | (2,-1,-1) |
| 25.81 | 3.4516 | 4.7 | (2,1,-1) |
| 26.81 | 3.3256 | 1.7 | (2,0,2) |
| 26.84 | 3.3215 | 1.6 | (2,0,-2) |
| 27.43 | 3.2511 | 10.0 | (1,2,2) |
| 27.44 | 3.2509 | 9.6 | (1,-2,-2) |
| 27.44 | 3.2505 | 9.7 | (1,-2,2) |
| 27.47 | 3.2469 | 9.6 | (1,2,-2) |
| 28.72 | 3.1088 | 1.7 | (2,-1,2) |
| 28.72 | 3.1083 | 1.7 | (2,1,2) |
| 28.74 | 3.1064 | 1.9 | (2,-1,-2) |
| 28.76 | 3.1039 | 1.8 | (2,1,-2) |
Energy Properties
Formation Energy/atom
-0.60523
eV/atom
Energy/atom
-38.57310
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.5731
eV/atom
Volume/atom
26.58
ų
c/a Ratio
1.5597
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9634
μB
Mag. Ordering
FiM
Mag. Sites
9
Magnetization/Volume
0.001130
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.406
Element Family
Lanthanide
Solute Fraction
0.594
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3049
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8490
J/mol·K
Ω Parameter
5.5759
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.936%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3557
smaller = more stable mixing
VEC
7.281
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.885
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9413
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292810
Reference Citation
The crystal structure and related material properties of Ho13Lu7(CoBi2)4 were obtained from the Materials Project database (MP-ID: mp-3292810, 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_Ho13Lu7(CoBi2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89599111
_cell_length_b 8.74777740
_cell_length_c 12.31524760
_cell_angle_alpha 89.94775853
_cell_angle_beta 89.92196427
_cell_angle_gamma 90.04813355
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho13Lu7(CoBi2)4
_chemical_formula_sum 'Ho13 Lu7 Co4 Bi8'
_cell_volume 850.64192769
_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 0.34765953 0.75028806 0.69853273 1.0
Ho Ho1 1 0.65236434 0.24992038 0.30098432 1.0
Ho Ho2 1 0.84736797 0.25065794 0.80111701 1.0
Ho Ho3 1 0.15303613 0.74998772 0.20053590 1.0
Ho Ho4 1 0.88023442 0.74875000 0.81374526 1.0
Ho Ho5 1 0.11643074 0.25135814 0.18598517 1.0
Ho Ho6 1 0.38292514 0.24930363 0.68408417 1.0
Ho Ho7 1 0.61684858 0.75049425 0.31544080 1.0
Ho Ho8 1 0.17376295 0.03709238 0.93667431 1.0
Ho Ho9 1 0.05591461 0.74999549 0.49709901 1.0
Ho Ho10 1 0.94323093 0.25012508 0.50307888 1.0
Ho Ho11 1 0.55809367 0.25080179 0.00319198 1.0
Ho Ho12 1 0.44698213 0.74877564 0.99728009 1.0
Lu Lu13 1 0.66932807 0.53805195 0.56311306 1.0
Lu Lu14 1 0.33005738 0.46220655 0.43663265 1.0
Lu Lu15 1 0.17013099 0.46115910 0.93665412 1.0
Lu Lu16 1 0.32998720 0.03787002 0.43663681 1.0
Lu Lu17 1 0.83121129 0.53866176 0.06366410 1.0
Lu Lu18 1 0.66965708 0.96193744 0.56303942 1.0
Lu Lu19 1 0.83040539 0.96258183 0.06348323 1.0
Co Co20 1 0.06235282 0.74909841 0.99345872 1.0
Co Co21 1 0.93548583 0.25121950 0.00721262 1.0
Co Co22 1 0.56291241 0.24996024 0.50605940 1.0
Co Co23 1 0.43638319 0.75003832 0.49336208 1.0
Bi Bi24 1 0.56482081 0.50724556 0.82623924 1.0
Bi Bi25 1 0.43391518 0.49213301 0.17331325 1.0
Bi Bi26 1 0.06617614 0.49195705 0.67254973 1.0
Bi Bi27 1 0.43315340 0.00807012 0.17256025 1.0
Bi Bi28 1 0.93288846 0.50844638 0.32782286 1.0
Bi Bi29 1 0.56758740 0.99205459 0.82644374 1.0
Bi Bi30 1 0.93361821 0.99215778 0.32753407 1.0
Bi Bi31 1 0.06507860 0.00759987 0.67247098 1.0
