Basic Information
Formula
HoGaPd
MP-ID
mp-31386
Elements
3
Sites
12
Density
9.8047
g/cm³
Volume
231.06
ų
Cell a
4.4408
Å
Cell b
6.9064
Å
Cell c
7.5338
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 |
|---|---|---|---|
| 23.25 | 3.8256 | 9.3 | (1,0,1) |
| 23.62 | 3.7669 | 3.1 | (0,0,2) |
| 26.64 | 3.3465 | 4.8 | (1,1,1) |
| 26.96 | 3.3070 | 2.2 | (0,1,2) |
| 28.43 | 3.1392 | 1.5 | (0,2,1) |
| 32.85 | 2.7260 | 2.5 | (1,2,0) |
| 33.79 | 2.6523 | 43.4 | (1,1,2) |
| 35.00 | 2.5634 | 100.0 | (1,2,1) |
| 35.26 | 2.5455 | 34.4 | (0,2,2) |
| 38.13 | 2.3601 | 12.9 | (0,1,3) |
| 40.63 | 2.2204 | 37.8 | (2,0,0) |
| 40.99 | 2.2017 | 16.8 | (0,3,1) |
| 41.30 | 2.1859 | 45.5 | (1,0,3) |
| 43.42 | 2.0841 | 1.9 | (1,1,3) |
| 46.01 | 1.9725 | 1.6 | (1,3,1) |
| 46.21 | 1.9643 | 4.1 | (0,3,2) |
| 47.54 | 1.9128 | 1.0 | (2,0,2) |
| 49.34 | 1.8470 | 1.7 | (1,2,3) |
| 53.04 | 1.7266 | 6.1 | (0,4,0) |
| 54.04 | 1.6970 | 4.8 | (0,3,3) |
| 54.57 | 1.6818 | 6.6 | (1,1,4) |
| 54.87 | 1.6733 | 19.3 | (2,2,2) |
| 55.58 | 1.6535 | 4.6 | (0,2,4) |
| 56.94 | 1.6172 | 8.1 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.89137
eV/atom
Energy/atom
-5.15992
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.3866
eV/atom
Volume/atom
19.25
ų
c/a Ratio
1.6965
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
1.0571
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.351%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3985
smaller = more stable mixing
VEC
8.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.132
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31386
Reference Citation
The crystal structure and related material properties of HoGaPd were obtained from the Materials Project database (MP-ID: mp-31386, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44074564
_cell_length_b 6.90644281
_cell_length_c 7.53378534
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoGaPd
_chemical_formula_sum 'Ho4 Ga4 Pd4'
_cell_volume 231.05935660
_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 0.25000000 0.48330376 0.80040462 1.0
Ho Ho1 1 0.75000000 0.51669624 0.19959538 1.0
Ho Ho2 1 0.25000000 0.98330376 0.69959538 1.0
Ho Ho3 1 0.75000000 0.01669624 0.30040462 1.0
Ga Ga4 1 0.25000000 0.82130074 0.07762708 1.0
Ga Ga5 1 0.75000000 0.17869926 0.92237292 1.0
Ga Ga6 1 0.25000000 0.32130074 0.42237292 1.0
Ga Ga7 1 0.75000000 0.67869926 0.57762708 1.0
Pd Pd8 1 0.75000000 0.78358931 0.90559428 1.0
Pd Pd9 1 0.25000000 0.21641069 0.09440572 1.0
Pd Pd10 1 0.75000000 0.28358931 0.59440572 1.0
Pd Pd11 1 0.25000000 0.71641069 0.40559428 1.0
