Ho3Mn8Si6Ni
高熵材料 HEAMP-ID: mp-3295292 · Space group: Pmmn (#59)
Basic Information
Formula
Ho3Mn8Si6Ni
MP-ID
mp-3295292
Elements
4
Sites
36
Density
6.8870
g/cm³
Volume
560.10
ų
Cell a
3.7932
Å
Cell b
11.2395
Å
Cell c
13.1377
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmn
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 |
|---|---|---|---|
| 10.36 | 8.5405 | 12.6 | (0,1,1) |
| 17.16 | 5.1669 | 4.8 | (0,2,1) |
| 20.28 | 4.3792 | 3.6 | (0,0,3) |
| 20.80 | 4.2703 | 7.8 | (0,2,2) |
| 24.43 | 3.6443 | 7.9 | (1,0,1) |
| 24.71 | 3.6029 | 5.3 | (0,3,1) |
| 24.77 | 3.5940 | 7.0 | (1,1,0) |
| 25.70 | 3.4666 | 3.0 | (1,1,1) |
| 27.15 | 3.2848 | 2.7 | (1,0,2) |
| 27.15 | 3.2844 | 6.9 | (0,0,4) |
| 27.41 | 3.2544 | 10.2 | (0,3,2) |
| 28.31 | 3.1526 | 5.3 | (0,1,4) |
| 29.21 | 3.0577 | 7.7 | (1,2,1) |
| 31.42 | 2.8468 | 11.0 | (0,3,3) |
| 32.22 | 2.7782 | 9.1 | (1,1,3) |
| 32.59 | 2.7477 | 4.4 | (0,4,1) |
| 33.62 | 2.6655 | 2.6 | (1,3,0) |
| 34.12 | 2.6275 | 3.2 | (0,0,5) |
| 34.33 | 2.6123 | 9.9 | (1,3,1) |
| 34.72 | 2.5834 | 6.0 | (0,4,2) |
| 35.07 | 2.5586 | 4.6 | (0,1,5) |
| 35.14 | 2.5540 | 9.5 | (1,2,3) |
| 36.18 | 2.4830 | 42.1 | (1,0,4) |
| 36.37 | 2.4699 | 100.0 | (1,3,2) |
Energy Properties
Formation Energy/atom
-0.60513
eV/atom
Energy/atom
-16.20152
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.2015
eV/atom
Volume/atom
15.56
ų
c/a Ratio
3.4635
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
46.6168
μB
Mag. Ordering
FiM
Mag. Sites
24
Magnetization/Volume
0.083230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.444
Element Family
3d-TM
Solute Fraction
0.556
Interstitial Fraction
0.333
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1858
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.8589
J/mol·K
Ω Parameter
0.6530
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.163%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2412
smaller = more stable mixing
VEC
6.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-24.494
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8554
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295292
Reference Citation
The crystal structure and related material properties of Ho3Mn8Si6Ni were obtained from the Materials Project database (MP-ID: mp-3295292, 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_Ho3Mn8Si6Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79315981
_cell_length_b 11.23946618
_cell_length_c 13.13770460
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Mn8Si6Ni
_chemical_formula_sum 'Ho6 Mn16 Si12 Ni2'
_cell_volume 560.10096129
_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 0.00000000 0.50000000 0.53030720 1.0
Ho Ho1 1 0.50000000 0.00000000 0.46969280 1.0
Ho Ho2 1 0.50000000 0.82395814 0.20584968 1.0
Ho Ho3 1 0.50000000 0.17604186 0.20584968 1.0
Ho Ho4 1 0.00000000 0.67604186 0.79415032 1.0
Ho Ho5 1 0.00000000 0.32395814 0.79415032 1.0
Mn Mn6 1 0.00000000 0.50000000 0.98835539 1.0
Mn Mn7 1 0.50000000 0.00000000 0.01164461 1.0
Mn Mn8 1 0.50000000 0.29466805 0.43526419 1.0
Mn Mn9 1 0.50000000 0.70533195 0.43526419 1.0
Mn Mn10 1 0.00000000 0.20533195 0.56473581 1.0
Mn Mn11 1 0.00000000 0.79466805 0.56473581 1.0
Mn Mn12 1 0.50000000 0.87625555 0.70008764 1.0
Mn Mn13 1 0.50000000 0.12374445 0.70008764 1.0
Mn Mn14 1 0.00000000 0.62374445 0.29991236 1.0
Mn Mn15 1 0.00000000 0.37625555 0.29991236 1.0
Mn Mn16 1 0.50000000 0.33441960 0.99600717 1.0
Mn Mn17 1 0.50000000 0.66558040 0.99600717 1.0
Mn Mn18 1 0.00000000 0.16558040 0.00399283 1.0
Mn Mn19 1 0.00000000 0.83441960 0.00399283 1.0
Mn Mn20 1 0.50000000 0.50000000 0.16173851 1.0
Mn Mn21 1 0.00000000 0.00000000 0.83826149 1.0
Si Si22 1 0.50000000 0.32352789 0.62064826 1.0
Si Si23 1 0.50000000 0.67647211 0.62064826 1.0
Si Si24 1 0.00000000 0.17647211 0.37935174 1.0
Si Si25 1 0.00000000 0.82352789 0.37935174 1.0
Si Si26 1 0.50000000 0.50000000 0.87725962 1.0
Si Si27 1 0.00000000 0.00000000 0.12274038 1.0
Si Si28 1 0.50000000 0.84333109 0.88719352 1.0
Si Si29 1 0.50000000 0.15666891 0.88719352 1.0
Si Si30 1 0.00000000 0.65666891 0.11280648 1.0
Si Si31 1 0.00000000 0.34333109 0.11280648 1.0
Si Si32 1 0.50000000 0.50000000 0.35695521 1.0
Si Si33 1 0.00000000 0.00000000 0.64304479 1.0
Ni Ni34 1 0.50000000 0.50000000 0.70534568 1.0
Ni Ni35 1 0.00000000 0.00000000 0.29465432 1.0
