Basic Information
Formula
Ho6CoBi2
MP-ID
mp-30922
Elements
3
Sites
9
Density
9.8653
g/cm³
Volume
246.84
ų
Cell a
8.3622
Å
Cell b
8.3622
Å
Cell c
4.0761
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 21.25 | 4.1811 | 3.2 | (2,-1,-1,0) |
| 21.25 | 4.1811 | 1.6 | (1,1,-2,0) |
| 21.80 | 4.0761 | 7.5 | (0,0,0,1) |
| 30.63 | 2.9187 | 100.0 | (2,-1,-1,1) |
| 32.72 | 2.7372 | 60.0 | (3,-1,-2,0) |
| 33.09 | 2.7071 | 57.4 | (2,0,-2,1) |
| 37.25 | 2.4140 | 32.9 | (3,0,-3,0) |
| 39.66 | 2.2724 | 11.9 | (3,-2,-1,1) |
| 39.66 | 2.2724 | 23.7 | (3,-1,-2,1) |
| 43.28 | 2.0906 | 4.5 | (4,-2,-2,0) |
| 43.28 | 2.0906 | 2.3 | (2,2,-4,0) |
| 44.45 | 2.0380 | 20.7 | (0,0,0,2) |
| 45.14 | 2.0085 | 4.3 | (4,-1,-3,0) |
| 45.14 | 2.0085 | 2.2 | (3,1,-4,0) |
| 48.97 | 1.8602 | 3.3 | (4,-2,-2,1) |
| 49.77 | 1.8320 | 1.1 | (2,-1,-1,2) |
| 50.67 | 1.8017 | 4.4 | (4,-3,-1,1) |
| 50.67 | 1.8017 | 8.9 | (4,-1,-3,1) |
| 55.29 | 1.6614 | 1.5 | (5,-2,-3,0) |
| 55.54 | 1.6546 | 2.0 | (4,0,-4,1) |
| 56.28 | 1.6347 | 26.1 | (3,-1,-2,2) |
| 58.40 | 1.5803 | 7.0 | (5,-1,-4,0) |
| 58.40 | 1.5803 | 3.5 | (4,1,-5,0) |
| 59.35 | 1.5573 | 5.7 | (3,-3,0,2) |
Energy Properties
Formation Energy/atom
-0.44371
eV/atom
Energy/atom
-5.16589
eV/atom
Energy above Hull
0.0309
eV/atom
Uncorrected Energy
-5.1659
eV/atom
Volume/atom
27.43
ų
c/a Ratio
0.4874
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.7798
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.003160
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.667
Element Family
Lanthanide
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8487
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0560
J/mol·K
Ω Parameter
4.5612
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.495%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3525
smaller = more stable mixing
VEC
9.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.279
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7725
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30922
Reference Citation
The crystal structure and related material properties of Ho6CoBi2 were obtained from the Materials Project database (MP-ID: mp-30922, 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_Ho6CoBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36219089
_cell_length_b 8.36219089
_cell_length_c 4.07608800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000705
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6CoBi2
_chemical_formula_sum 'Ho6 Co1 Bi2'
_cell_volume 246.83930054
_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 0.23078300 0.00000000 0.00000000 1.0
Ho Ho1 1 0.00000000 0.60682600 0.50000000 1.0
Ho Ho2 1 0.39317400 0.39317400 0.50000000 1.0
Ho Ho3 1 0.76921700 0.76921700 0.00000000 1.0
Ho Ho4 1 0.00000000 0.23078300 0.00000000 1.0
Ho Ho5 1 0.60682600 0.00000000 0.50000000 1.0
Co Co6 1 0.00000000 0.00000000 0.50000000 1.0
Bi Bi7 1 0.33333300 0.66666700 0.00000000 1.0
Bi Bi8 1 0.66666700 0.33333300 0.00000000 1.0
