Basic Information
Formula
Ho6CoTe2
MP-ID
mp-976064
Elements
3
Sites
9
Density
9.2813
g/cm³
Volume
233.25
ų
Cell a
8.2714
Å
Cell b
8.2714
Å
Cell c
3.9367
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
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 |
|---|---|---|---|
| 12.36 | 7.1633 | 1.7 | (1,0,-1,0) |
| 21.49 | 4.1357 | 1.1 | (2,-1,-1,0) |
| 22.59 | 3.9367 | 4.1 | (0,0,0,1) |
| 25.82 | 3.4500 | 5.6 | (1,0,-1,1) |
| 31.37 | 2.8514 | 100.0 | (2,-1,-1,1) |
| 31.37 | 2.8514 | 50.0 | (1,1,-2,1) |
| 33.09 | 2.7075 | 35.2 | (3,-2,-1,0) |
| 33.09 | 2.7075 | 70.5 | (3,-1,-2,0) |
| 33.84 | 2.6492 | 30.3 | (2,-2,0,1) |
| 33.84 | 2.6492 | 60.7 | (2,0,-2,1) |
| 37.67 | 2.3878 | 13.3 | (3,-3,0,0) |
| 37.67 | 2.3878 | 26.6 | (3,0,-3,0) |
| 40.43 | 2.2308 | 29.0 | (3,-1,-2,1) |
| 40.43 | 2.2308 | 14.5 | (2,1,-3,1) |
| 43.78 | 2.0679 | 5.4 | (4,-2,-2,0) |
| 43.78 | 2.0679 | 2.7 | (2,2,-4,0) |
| 45.66 | 1.9867 | 3.6 | (4,-3,-1,0) |
| 45.66 | 1.9867 | 3.6 | (4,-1,-3,0) |
| 45.66 | 1.9867 | 3.6 | (3,1,-4,0) |
| 46.12 | 1.9683 | 29.4 | (0,0,0,2) |
| 51.00 | 1.7908 | 1.1 | (4,-4,0,0) |
| 51.00 | 1.7908 | 2.3 | (4,0,-4,0) |
| 51.53 | 1.7737 | 9.8 | (4,-3,-1,1) |
| 51.53 | 1.7737 | 9.8 | (4,-1,-3,1) |
Energy Properties
Formation Energy/atom
-0.73649
eV/atom
Energy/atom
-5.29273
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.7603
eV/atom
Volume/atom
25.92
ų
c/a Ratio
0.4759
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0247
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.008680
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
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.934%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3803
smaller = more stable mixing
VEC
9.222
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
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-976064
Reference Citation
The crystal structure and related material properties of Ho6CoTe2 were obtained from the Materials Project database (MP-ID: mp-976064, 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_Ho6CoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27142824
_cell_length_b 8.27142824
_cell_length_c 3.93667791
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00002066
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6CoTe2
_chemical_formula_sum 'Ho6 Co1 Te2'
_cell_volume 233.24988457
_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 0.23431090 0.00000000 -0.00000000 1.0
Ho Ho1 1 0.00000000 0.23431090 -0.00000000 1.0
Ho Ho2 1 0.76568910 0.76568910 0.00000000 1.0
Ho Ho3 1 0.60162846 -0.00000000 0.50000000 1.0
Ho Ho4 1 -0.00000000 0.60162746 0.50000000 1.0
Ho Ho5 1 0.39837254 0.39837254 0.50000000 1.0
Co Co6 1 -0.00000000 0.00000000 0.50000000 1.0
Te Te7 1 0.33333300 0.66666700 0.00000000 1.0
Te Te8 1 0.66666700 0.33333300 0.00000000 1.0
