Ho2Ga10Tc2Os
High-Entropy Materials HEAMP-ID: mp-3292337 · Space group: P4/mbm (#127)
Basic Information
Formula
Ho2Ga10Tc2Os
MP-ID
mp-3292337
Elements
4
Sites
30
Density
9.3718
g/cm³
Volume
500.84
ų
Cell a
8.9357
Å
Cell b
8.9357
Å
Cell c
6.2725
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mbm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 14.02 | 6.3185 | 8.1 | (1,1,0) |
| 14.12 | 6.2725 | 5.4 | (0,0,1) |
| 19.95 | 4.4515 | 21.3 | (1,1,1) |
| 22.25 | 3.9962 | 32.6 | (2,1,0) |
| 24.46 | 3.6391 | 2.6 | (2,0,1) |
| 26.45 | 3.3703 | 10.8 | (2,1,1) |
| 28.25 | 3.1592 | 6.2 | (2,2,0) |
| 31.66 | 2.8257 | 1.7 | (3,1,0) |
| 31.71 | 2.8216 | 24.9 | (2,2,1) |
| 31.86 | 2.8092 | 2.3 | (1,1,2) |
| 34.82 | 2.5764 | 37.7 | (3,1,1) |
| 34.95 | 2.5670 | 13.2 | (2,0,2) |
| 36.25 | 2.4783 | 4.9 | (3,2,0) |
| 36.42 | 2.4672 | 81.3 | (2,1,2) |
| 39.08 | 2.3049 | 3.5 | (3,2,1) |
| 40.38 | 2.2339 | 10.8 | (4,0,0) |
| 40.53 | 2.2258 | 46.0 | (2,2,2) |
| 41.68 | 2.1672 | 87.6 | (4,1,0) |
| 42.94 | 2.1062 | 22.4 | (3,3,0) |
| 42.98 | 2.1044 | 1.5 | (4,0,1) |
| 43.09 | 2.0993 | 100.0 | (3,1,2) |
| 43.27 | 2.0909 | 18.7 | (0,0,3) |
| 45.39 | 1.9981 | 20.2 | (4,2,0) |
| 45.43 | 1.9966 | 2.5 | (3,3,1) |
Energy Properties
Formation Energy/atom
-0.49321
eV/atom
Energy/atom
-19.50021
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.5002
eV/atom
Volume/atom
16.69
ų
c/a Ratio
0.7020
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
Ga · 0.667
Element Family
PostTransition-Noble
Solute Fraction
0.333
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9882
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2155
J/mol·K
Ω Parameter
40.4532
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.689%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2335
smaller = more stable mixing
VEC
4.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.199
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7128
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292337
Reference Citation
The crystal structure and related material properties of Ho2Ga10Tc2Os were obtained from the Materials Project database (MP-ID: mp-3292337, 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_Ho2Ga10Tc2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93567182
_cell_length_b 8.93567182
_cell_length_c 6.27254293
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Ga10Tc2Os
_chemical_formula_sum 'Ho4 Ga20 Tc4 Os2'
_cell_volume 500.83891087
_cell_formula_units_Z 2
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 0.68278236 0.18278236 0.00000000 1.0
Ho Ho1 1 0.31721764 0.81721764 0.00000000 1.0
Ho Ho2 1 0.81721764 0.68278236 0.00000000 1.0
Ho Ho3 1 0.18278236 0.31721764 0.00000000 1.0
Ga Ga4 1 0.94039785 0.20562085 0.29271148 1.0
Ga Ga5 1 0.70562085 0.44039785 0.29271148 1.0
Ga Ga6 1 0.50000000 0.00000000 0.28706432 1.0
Ga Ga7 1 0.55960215 0.70562085 0.70728852 1.0
Ga Ga8 1 0.29437915 0.55960215 0.70728852 1.0
Ga Ga9 1 0.79437915 0.94039785 0.29271148 1.0
Ga Ga10 1 0.94039785 0.20562085 0.70728852 1.0
Ga Ga11 1 0.29437915 0.55960215 0.29271148 1.0
Ga Ga12 1 0.05960215 0.79437915 0.29271148 1.0
Ga Ga13 1 0.70562085 0.44039785 0.70728852 1.0
Ga Ga14 1 0.44039785 0.29437915 0.70728852 1.0
Ga Ga15 1 0.05960215 0.79437915 0.70728852 1.0
Ga Ga16 1 0.20562085 0.05960215 0.70728852 1.0
Ga Ga17 1 0.79437915 0.94039785 0.70728852 1.0
Ga Ga18 1 0.20562085 0.05960215 0.29271148 1.0
Ga Ga19 1 0.00000000 0.50000000 0.71293568 1.0
Ga Ga20 1 0.00000000 0.50000000 0.28706432 1.0
Ga Ga21 1 0.55960215 0.70562085 0.29271148 1.0
Ga Ga22 1 0.44039785 0.29437915 0.29271148 1.0
Ga Ga23 1 0.50000000 0.00000000 0.71293568 1.0
Tc Tc24 1 0.67913586 0.17913586 0.50000000 1.0
Tc Tc25 1 0.82086414 0.67913586 0.50000000 1.0
Tc Tc26 1 0.17913586 0.32086414 0.50000000 1.0
Tc Tc27 1 0.32086414 0.82086414 0.50000000 1.0
Os Os28 1 0.00000000 0.00000000 0.00000000 1.0
Os Os29 1 0.50000000 0.50000000 0.00000000 1.0
