Basic Information
Formula
Ho5Bi2Ru
MP-ID
mp-3293553
Elements
3
Sites
32
Density
10.1460
g/cm³
Volume
879.65
ų
Cell a
7.9453
Å
Cell b
8.9274
Å
Cell c
12.4016
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 14.93 | 5.9351 | 1.3 | (1,1,0) |
| 18.15 | 4.8883 | 2.2 | (1,0,2) |
| 19.89 | 4.4637 | 1.7 | (0,2,0) |
| 22.38 | 3.9726 | 6.3 | (2,0,0) |
| 23.52 | 3.7833 | 1.7 | (2,0,1) |
| 23.97 | 3.7131 | 1.8 | (1,2,1) |
| 24.27 | 3.6672 | 7.4 | (1,0,3) |
| 25.57 | 3.4834 | 3.1 | (2,1,1) |
| 27.05 | 3.2962 | 11.9 | (1,2,2) |
| 28.50 | 3.1324 | 2.7 | (2,1,2) |
| 28.80 | 3.1004 | 1.8 | (0,0,4) |
| 30.96 | 2.8883 | 55.9 | (1,0,4) |
| 30.99 | 2.8861 | 100.0 | (2,2,1) |
| 31.23 | 2.8644 | 17.0 | (2,0,3) |
| 31.57 | 2.8336 | 93.3 | (1,2,3) |
| 32.12 | 2.7868 | 12.0 | (1,3,0) |
| 32.58 | 2.7480 | 4.9 | (1,1,4) |
| 32.94 | 2.7190 | 2.5 | (1,3,1) |
| 33.40 | 2.6829 | 2.1 | (0,3,2) |
| 33.48 | 2.6768 | 48.3 | (2,2,2) |
| 34.63 | 2.5900 | 21.1 | (3,0,1) |
| 35.25 | 2.5464 | 21.6 | (0,2,4) |
| 35.31 | 2.5419 | 5.3 | (1,3,2) |
| 35.35 | 2.5391 | 1.5 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.72998
eV/atom
Energy/atom
-39.08445
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.0845
eV/atom
Volume/atom
27.49
ų
c/a Ratio
1.5609
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.8710
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000990
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9003
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4847
J/mol·K
Ω Parameter
3.4927
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.245%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4148
smaller = more stable mixing
VEC
9.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.313
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8194
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293553
Reference Citation
The crystal structure and related material properties of Ho5Bi2Ru were obtained from the Materials Project database (MP-ID: mp-3293553, 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_Ho5Bi2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94526320
_cell_length_b 8.92739104
_cell_length_c 12.40158792
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho5Bi2Ru
_chemical_formula_sum 'Ho20 Bi8 Ru4'
_cell_volume 879.65047830
_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 0.84284217 0.75000000 0.79543947 1.0
Ho Ho1 1 0.15715783 0.25000000 0.20456053 1.0
Ho Ho2 1 0.34284217 0.25000000 0.70456053 1.0
Ho Ho3 1 0.65715783 0.75000000 0.29543947 1.0
Ho Ho4 1 0.37934295 0.75000000 0.68910643 1.0
Ho Ho5 1 0.62065705 0.25000000 0.31089357 1.0
Ho Ho6 1 0.87934295 0.25000000 0.81089357 1.0
Ho Ho7 1 0.12065705 0.75000000 0.18910643 1.0
Ho Ho8 1 0.94655504 0.75000000 0.50356282 1.0
Ho Ho9 1 0.05344496 0.25000000 0.49643718 1.0
Ho Ho10 1 0.44655504 0.25000000 0.99643718 1.0
Ho Ho11 1 0.55344496 0.75000000 0.00356282 1.0
Ho Ho12 1 0.67422466 0.03851474 0.56534306 1.0
Ho Ho13 1 0.32577534 0.96148526 0.43465694 1.0
Ho Ho14 1 0.17422466 0.96148526 0.93465694 1.0
Ho Ho15 1 0.32577534 0.53851474 0.43465694 1.0
Ho Ho16 1 0.82577534 0.03851474 0.06534306 1.0
Ho Ho17 1 0.67422466 0.46148526 0.56534306 1.0
Ho Ho18 1 0.82577534 0.46148526 0.06534306 1.0
Ho Ho19 1 0.17422466 0.53851474 0.93465694 1.0
Bi Bi20 1 0.56771688 0.49216012 0.82786870 1.0
Bi Bi21 1 0.43228312 0.50783988 0.17213130 1.0
Bi Bi22 1 0.06771688 0.50783988 0.67213130 1.0
Bi Bi23 1 0.43228312 0.99216012 0.17213130 1.0
Bi Bi24 1 0.93228312 0.49216012 0.32786870 1.0
Bi Bi25 1 0.56771688 0.00783988 0.82786870 1.0
Bi Bi26 1 0.93228312 0.00783988 0.32786870 1.0
Bi Bi27 1 0.06771688 0.99216012 0.67213130 1.0
Ru Ru28 1 0.56906406 0.75000000 0.50832957 1.0
Ru Ru29 1 0.43093594 0.25000000 0.49167043 1.0
Ru Ru30 1 0.06906406 0.25000000 0.99167043 1.0
Ru Ru31 1 0.93093594 0.75000000 0.00832957 1.0
