Ho12InPt7
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-31109 · Space group: I4/mcm (#140)
Basic Information
Formula
Ho12InPt7
MP-ID
mp-31109
Elements
3
Sites
40
Density
12.1024
g/cm³
Volume
949.36
ų
Cell a
10.8450
Å
Cell b
10.8449
Å
Cell c
10.8449
Å
α Angle
115.92
°
β Angle
115.92
°
γ Angle
97.23
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 10.87 | 8.1365 | 7.0 | (1,-1,0) |
| 10.87 | 8.1365 | 7.0 | (0,0,1) |
| 12.34 | 7.1701 | 29.2 | (1,1,-1) |
| 15.40 | 5.7534 | 5.4 | (1,-1,1) |
| 15.40 | 5.7534 | 5.4 | (1,-1,-1) |
| 16.48 | 5.3794 | 9.8 | (2,0,-1) |
| 16.48 | 5.3794 | 9.8 | (1,1,-2) |
| 16.48 | 5.3794 | 9.8 | (0,2,-1) |
| 16.48 | 5.3794 | 9.8 | (1,1,0) |
| 21.85 | 4.0683 | 8.9 | (2,-2,0) |
| 21.85 | 4.0682 | 8.9 | (0,0,2) |
| 24.46 | 3.6388 | 11.9 | (2,-2,1) |
| 24.46 | 3.6388 | 5.9 | (1,-1,2) |
| 24.46 | 3.6388 | 5.9 | (1,-1,-2) |
| 24.84 | 3.5850 | 8.5 | (2,2,-2) |
| 25.43 | 3.5022 | 3.0 | (3,0,-2) |
| 25.43 | 3.5022 | 5.9 | (3,0,-1) |
| 25.43 | 3.5022 | 3.0 | (1,2,-3) |
| 25.43 | 3.5022 | 3.0 | (0,3,-2) |
| 25.43 | 3.5022 | 5.9 | (2,1,0) |
| 25.43 | 3.5022 | 3.0 | (1,2,0) |
| 27.49 | 3.2448 | 1.8 | (1,-3,2) |
| 27.49 | 3.2448 | 1.8 | (2,0,1) |
| 32.69 | 2.7394 | 34.0 | (3,-2,-2) |
Energy Properties
Formation Energy/atom
-1.01379
eV/atom
Energy/atom
-6.03525
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.0157
eV/atom
Volume/atom
23.73
ų
c/a Ratio
1.0000
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.600
Element Family
Lanthanide
Solute Fraction
0.400
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8237
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8484
J/mol·K
Ω Parameter
32.9992
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.472%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4949
smaller = more stable mixing
VEC
10.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.369
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7498
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.616
Family
Ho-rich Multi-Component
Matrix Element
Ho · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31109
Reference Citation
The crystal structure and related material properties of Ho12InPt7 were obtained from the Materials Project database (MP-ID: mp-31109, 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_Ho12InPt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.84494847
_cell_length_b 10.84493020
_cell_length_c 10.84494008
_cell_angle_alpha 115.91988459
_cell_angle_beta 115.91991937
_cell_angle_gamma 97.22541572
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho12InPt7
_chemical_formula_sum 'Ho24 In2 Pt14'
_cell_volume 949.35514902
_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 0.85277926 0.57189723 0.13389060 1.0
Ho Ho1 1 0.56199826 0.28111273 0.13389758 1.0
Ho Ho2 1 0.14721915 0.42810137 0.86610822 1.0
Ho Ho3 1 0.93800543 0.07189946 0.71911835 1.0
Ho Ho4 1 0.28111236 0.14721859 0.71911667 1.0
Ho Ho5 1 0.42810180 0.56199618 0.28088524 1.0
Ho Ho6 1 0.64721444 0.78110918 0.71911240 1.0
Ho Ho7 1 0.78111078 0.06199585 0.13389298 1.0
Ho Ho8 1 0.92810027 0.64721565 0.86610449 1.0
Ho Ho9 1 0.43800179 0.71888898 0.86610182 1.0
Ho Ho10 1 0.67682122 0.17682089 0.85364379 1.0
Ho Ho11 1 0.06199412 0.92810026 0.28088197 1.0
Ho Ho12 1 0.71888827 0.85278166 0.28088314 1.0
Ho Ho13 1 0.57189805 0.43800314 0.71911243 1.0
Ho Ho14 1 0.63391491 0.13391358 0.49999921 1.0
Ho Ho15 1 0.13391565 0.63391473 0.50000023 1.0
Ho Ho16 1 0.86608447 0.36608587 0.50000006 1.0
Ho Ho17 1 0.36608436 0.86608505 0.50000091 1.0
Ho Ho18 1 0.17682435 0.32318002 0.49999959 1.0
Ho Ho19 1 0.21888943 0.93800443 0.86610737 1.0
Ho Ho20 1 0.82317660 0.67682052 0.50000026 1.0
Ho Ho21 1 0.32317915 0.82317869 0.14635594 1.0
Ho Ho22 1 0.35278474 0.21889009 0.28088720 1.0
Ho Ho23 1 0.07190029 0.35278440 0.13389618 1.0
In In24 1 0.50000003 0.49999968 -0.00000034 1.0
In In25 1 0.00000023 0.00000015 0.00000043 1.0
Pt Pt26 1 0.02007229 0.86325581 0.49999899 1.0
Pt Pt27 1 0.97992964 0.13674584 0.50000374 1.0
Pt Pt28 1 0.63673947 0.47992640 0.50000280 1.0
Pt Pt29 1 0.52007685 0.02007567 0.15681758 1.0
Pt Pt30 1 0.13673669 0.63674164 0.15681084 1.0
Pt Pt31 1 0.47992435 0.97992621 0.84318452 1.0
Pt Pt32 1 0.12744799 0.62744883 0.75489588 1.0
Pt Pt33 1 0.62744566 0.87255149 0.49999892 1.0
Pt Pt34 1 0.37255333 0.12744694 0.49999963 1.0
Pt Pt35 1 0.87255232 0.37255219 0.24510525 1.0
Pt Pt36 1 0.25001102 0.25000573 0.00001661 1.0
Pt Pt37 1 0.74998846 0.74999382 -0.00001650 1.0
Pt Pt38 1 0.36326015 0.52007560 0.49999729 1.0
Pt Pt39 1 0.86326234 0.36325745 0.84318774 1.0
