HoMnNi4P3
High-Entropy Materials HEAMP-ID: mp-3292324 · Space group: Pnma (#62)
Basic Information
Formula
HoMnNi4P3
MP-ID
mp-3292324
Elements
4
Sites
36
Density
7.9416
g/cm³
Volume
457.97
ų
Cell a
3.7077
Å
Cell b
10.3839
Å
Cell c
11.8953
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 |
|---|---|---|---|
| 14.90 | 5.9477 | 7.0 | (0,0,2) |
| 17.08 | 5.1919 | 6.4 | (0,2,0) |
| 17.18 | 5.1610 | 1.7 | (0,1,2) |
| 18.65 | 4.7584 | 3.5 | (0,2,1) |
| 24.02 | 3.7042 | 4.3 | (0,1,3) |
| 25.51 | 3.4917 | 1.5 | (1,1,0) |
| 26.61 | 3.3504 | 19.7 | (1,1,1) |
| 28.32 | 3.1512 | 3.7 | (0,2,3) |
| 28.37 | 3.1464 | 6.5 | (1,0,2) |
| 29.67 | 3.0112 | 4.4 | (1,1,2) |
| 29.87 | 2.9916 | 12.4 | (0,3,2) |
| 30.05 | 2.9738 | 3.3 | (0,0,4) |
| 31.29 | 2.8589 | 2.9 | (0,1,4) |
| 34.22 | 2.6205 | 3.5 | (1,1,3) |
| 34.55 | 2.5960 | 1.6 | (0,4,0) |
| 35.39 | 2.5363 | 15.0 | (0,4,1) |
| 35.48 | 2.5301 | 13.8 | (1,3,0) |
| 36.30 | 2.4748 | 1.2 | (1,3,1) |
| 37.45 | 2.4011 | 20.5 | (1,2,3) |
| 37.81 | 2.3792 | 2.7 | (0,4,2) |
| 38.67 | 2.3282 | 100.0 | (1,3,2) |
| 38.82 | 2.3198 | 57.9 | (1,0,4) |
| 38.83 | 2.3190 | 13.0 | (0,1,5) |
| 39.82 | 2.2640 | 10.5 | (1,1,4) |
Energy Properties
Formation Energy/atom
-0.90755
eV/atom
Energy/atom
-14.51841
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.5184
eV/atom
Volume/atom
12.72
ų
c/a Ratio
3.2083
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.8512
μB
Mag. Ordering
FiM
Mag. Sites
16
Magnetization/Volume
0.028060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 0.444
Element Family
3d-TM
Solute Fraction
0.556
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2149
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.1006
J/mol·K
Ω Parameter
0.4935
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.002%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3024
smaller = more stable mixing
VEC
8.111
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-25.284
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8764
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292324
Reference Citation
The crystal structure and related material properties of HoMnNi4P3 were obtained from the Materials Project database (MP-ID: mp-3292324, 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…
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Raw CIF Data
# generated using pymatgen
data_HoMnNi4P3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70765059
_cell_length_b 10.38385721
_cell_length_c 11.89532830
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoMnNi4P3
_chemical_formula_sum 'Ho4 Mn4 Ni16 P12'
_cell_volume 457.96674162
_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 0.58043891 0.70397200 1.0
Ho Ho1 1 0.25000000 0.91956109 0.20397200 1.0
Ho Ho2 1 0.75000000 0.41956109 0.29602800 1.0
Ho Ho3 1 0.75000000 0.08043891 0.79602800 1.0
Mn Mn4 1 0.25000000 0.70530062 0.98979622 1.0
Mn Mn5 1 0.25000000 0.79469938 0.48979622 1.0
Mn Mn6 1 0.75000000 0.29469938 0.01020378 1.0
Mn Mn7 1 0.75000000 0.20530062 0.51020378 1.0
Ni Ni8 1 0.25000000 0.40462331 0.48805579 1.0
Ni Ni9 1 0.25000000 0.09537669 0.98805579 1.0
Ni Ni10 1 0.75000000 0.59537669 0.51194421 1.0
Ni Ni11 1 0.75000000 0.90462331 0.01194421 1.0
Ni Ni12 1 0.25000000 0.22274497 0.17467835 1.0
Ni Ni13 1 0.25000000 0.27725503 0.67467835 1.0
Ni Ni14 1 0.75000000 0.77725503 0.82532165 1.0
Ni Ni15 1 0.75000000 0.72274497 0.32532165 1.0
Ni Ni16 1 0.25000000 0.88154090 0.70285687 1.0
Ni Ni17 1 0.25000000 0.61845910 0.20285687 1.0
Ni Ni18 1 0.75000000 0.11845910 0.29714313 1.0
Ni Ni19 1 0.75000000 0.38154090 0.79714313 1.0
Ni Ni20 1 0.25000000 0.46566094 0.93124908 1.0
Ni Ni21 1 0.25000000 0.03433906 0.43124908 1.0
Ni Ni22 1 0.75000000 0.53433906 0.06875092 1.0
Ni Ni23 1 0.75000000 0.96566094 0.56875092 1.0
P P24 1 0.25000000 0.42241338 0.11491593 1.0
P P25 1 0.25000000 0.07758662 0.61491593 1.0
P P26 1 0.75000000 0.57758662 0.88508407 1.0
P P27 1 0.75000000 0.92241338 0.38508407 1.0
P P28 1 0.25000000 0.26929674 0.86347991 1.0
P P29 1 0.25000000 0.23070326 0.36347991 1.0
P P30 1 0.75000000 0.73070326 0.13652009 1.0
P P31 1 0.75000000 0.76929674 0.63652009 1.0
P P32 1 0.25000000 0.59843769 0.39301501 1.0
P P33 1 0.25000000 0.90156231 0.89301501 1.0
P P34 1 0.75000000 0.40156231 0.60698499 1.0
P P35 1 0.75000000 0.09843769 0.10698499 1.0
