HoThNiPt
高熵材料 HEAMP-ID: mp-3250618 · Space group: Amm2 (#38)
Basic Information
Formula
HoThNiPt
MP-ID
mp-3250618
Elements
4
Sites
4
Density
12.4134
g/cm³
Volume
87.05
ų
Cell a
5.8057
Å
Cell b
5.8057
Å
Cell c
4.2400
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
142.48
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 16.12 | 5.4972 | 4.4 | (1,-1,0) |
| 20.95 | 4.2400 | 13.9 | (0,0,1) |
| 25.18 | 3.5363 | 5.8 | (1,0,0) |
| 26.55 | 3.3574 | 13.5 | (1,-1,1) |
| 32.58 | 2.7486 | 38.6 | (2,-2,0) |
| 32.98 | 2.7157 | 100.0 | (1,0,1) |
| 34.28 | 2.6158 | 30.7 | (2,-1,0) |
| 39.05 | 2.3064 | 20.0 | (2,-2,1) |
| 40.52 | 2.2262 | 66.5 | (2,-1,1) |
| 42.65 | 2.1200 | 27.7 | (0,0,2) |
| 48.77 | 1.8674 | 18.8 | (1,1,0) |
| 50.17 | 1.8183 | 2.0 | (1,0,2) |
| 52.93 | 1.7300 | 9.4 | (3,-2,1) |
| 53.63 | 1.7090 | 2.5 | (1,1,1) |
| 54.56 | 1.6820 | 7.9 | (3,-3,1) |
| 54.68 | 1.6787 | 18.1 | (2,-2,2) |
| 55.82 | 1.6470 | 15.9 | (2,-1,2) |
| 56.38 | 1.6319 | 3.6 | (2,0,1) |
| 59.88 | 1.5446 | 13.8 | (3,-1,0) |
| 64.17 | 1.4513 | 9.4 | (3,-1,1) |
| 64.35 | 1.4478 | 13.3 | (4,-3,0) |
| 66.75 | 1.4013 | 14.7 | (1,1,2) |
| 68.24 | 1.3743 | 1.1 | (4,-4,0) |
| 68.48 | 1.3701 | 6.6 | (4,-3,1) |
Energy Properties
Formation Energy/atom
-0.91447
eV/atom
Energy/atom
-43.37098
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.3710
eV/atom
Volume/atom
21.76
ų
c/a Ratio
0.7303
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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 · 0.250
Element Family
Lanthanide
Solute Fraction
0.750
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3863
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.5257
J/mol·K
Ω Parameter
17.5605
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.320%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4358
smaller = more stable mixing
VEC
8.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.250
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3250618
Reference Citation
The crystal structure and related material properties of HoThNiPt were obtained from the Materials Project database (MP-ID: mp-3250618, 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_HoThNiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80571147
_cell_length_b 5.80571147
_cell_length_c 4.24001332
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.47514537
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoThNiPt
_chemical_formula_sum 'Ho1 Th1 Ni1 Pt1'
_cell_volume 87.05037708
_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 0.14135173 0.85864827 0.00000000 1.0
Th Th1 1 0.86694148 0.13305852 0.50000000 1.0
Ni Ni2 1 0.40626515 0.59373485 0.00000000 1.0
Pt Pt3 1 0.58544265 0.41455735 0.50000000 1.0
