Y16Ho4Ir5Pt7
高熵材料 HEAMP-ID: mp-3295314 · Space group: C2 (#5)
Basic Information
Formula
Y16Ho4Ir5Pt7
MP-ID
mp-3295314
Elements
4
Sites
32
Density
9.5489
g/cm³
Volume
766.70
ų
Cell a
11.0123
Å
Cell b
11.0123
Å
Cell c
6.3223
Å
α Angle
90.03
°
β Angle
90.03
°
γ Angle
90.18
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 16.10 | 5.5061 | 47.8 | (2,0,0) |
| 16.10 | 5.5061 | 47.8 | (0,2,0) |
| 22.80 | 3.8995 | 61.1 | (2,-2,0) |
| 22.87 | 3.8886 | 45.9 | (1,-2,1) |
| 22.87 | 3.8886 | 45.9 | (2,-1,-1) |
| 22.87 | 3.8879 | 45.1 | (2,-1,1) |
| 22.87 | 3.8878 | 45.1 | (1,-2,-1) |
| 22.88 | 3.8874 | 61.9 | (2,2,0) |
| 22.90 | 3.8833 | 45.5 | (1,2,-1) |
| 22.90 | 3.8833 | 45.5 | (2,1,-1) |
| 22.91 | 3.8810 | 45.2 | (2,1,1) |
| 22.91 | 3.8810 | 45.1 | (1,2,1) |
| 25.56 | 3.4857 | 10.5 | (3,-1,0) |
| 25.56 | 3.4856 | 10.5 | (1,-3,0) |
| 25.60 | 3.4791 | 9.7 | (3,1,0) |
| 25.60 | 3.4791 | 9.7 | (1,3,0) |
| 28.23 | 3.1611 | 25.0 | (0,0,2) |
| 29.25 | 3.0529 | 15.8 | (1,-3,1) |
| 29.25 | 3.0528 | 15.7 | (3,-1,-1) |
| 29.26 | 3.0521 | 14.4 | (3,-1,1) |
| 29.26 | 3.0521 | 14.4 | (1,-3,-1) |
| 29.29 | 3.0488 | 16.9 | (1,3,-1) |
| 29.29 | 3.0488 | 16.9 | (3,1,-1) |
| 29.31 | 3.0474 | 13.9 | (3,1,1) |
Energy Properties
Formation Energy/atom
-1.03731
eV/atom
Energy/atom
-34.74836
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.7484
eV/atom
Volume/atom
23.96
ų
c/a Ratio
0.5741
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.8993
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
J/mol·K
Ω Parameter
0.3810
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.263%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4967
smaller = more stable mixing
VEC
6.469
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-53.393
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295314
Reference Citation
The crystal structure and related material properties of Y16Ho4Ir5Pt7 were obtained from the Materials Project database (MP-ID: mp-3295314, 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_Y16Ho4Ir5Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01234322
_cell_length_b 11.01226115
_cell_length_c 6.32225164
_cell_angle_alpha 90.02700789
_cell_angle_beta 90.02536030
_cell_angle_gamma 90.17904586
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y16Ho4Ir5Pt7
_chemical_formula_sum 'Y16 Ho4 Ir5 Pt7'
_cell_volume 766.70060576
_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
Y Y0 1 0.29430994 0.08611106 0.37574178 1.0
Y Y1 1 0.29464825 0.90820480 0.87612584 1.0
Y Y2 1 0.70471301 0.08713048 0.87471155 1.0
Y Y3 1 0.70478370 0.91189934 0.37365682 1.0
Y Y4 1 0.58399910 0.79185670 0.87433876 1.0
Y Y5 1 0.58732456 0.20625084 0.37627918 1.0
Y Y6 1 0.41059439 0.79119084 0.37957359 1.0
Y Y7 1 0.41187371 0.20428024 0.87601123 1.0
Y Y8 1 0.20812921 0.41601723 0.62564398 1.0
Y Y9 1 0.20879368 0.58941741 0.12040735 1.0
Y Y10 1 0.79374467 0.41267617 0.12371150 1.0
Y Y11 1 0.79573380 0.58811484 0.62400498 1.0
Y Y12 1 0.91390307 0.70567858 0.12426512 1.0
Y Y13 1 0.91285586 0.29530786 0.62528730 1.0
Y Y14 1 0.09178940 0.70535531 0.62387560 1.0
Y Y15 1 0.08809209 0.29523908 0.12633390 1.0
Ho Ho16 1 0.99889256 0.00033622 0.50041884 1.0
Ho Ho17 1 0.99967099 0.00109161 0.99959996 1.0
Ho Ho18 1 0.49812337 0.50028840 0.99979007 1.0
Ho Ho19 1 0.49972895 0.50187028 0.50019768 1.0
Ir Ir20 1 0.34875959 0.65126326 0.75000219 1.0
Ir Ir21 1 0.49974923 0.99967562 0.12331648 1.0
Ir Ir22 1 0.49964974 0.99981382 0.62169076 1.0
Ir Ir23 1 0.00019137 0.50035511 0.87831150 1.0
Ir Ir24 1 0.00032112 0.50025012 0.37670684 1.0
Pt Pt25 1 0.84743113 0.15256279 0.24999477 1.0
Pt Pt26 1 0.84658338 0.84825084 0.75063074 1.0
Pt Pt27 1 0.15172246 0.15340596 0.74937706 1.0
Pt Pt28 1 0.15088342 0.84911772 0.25001199 1.0
Pt Pt29 1 0.65176504 0.34819271 0.75000369 1.0
Pt Pt30 1 0.65405756 0.65281857 0.24949904 1.0
Pt Pt31 1 0.34718169 0.34597618 0.25047891 1.0
