Ho19MgIr11Ru
高熵材料 HEAMP-ID: mp-3293382 · Space group: P2 (#3)
Basic Information
Formula
Ho19MgIr11Ru
MP-ID
mp-3293382
Elements
4
Sites
32
Density
12.3335
g/cm³
Volume
723.46
ų
Cell a
10.7083
Å
Cell b
10.7226
Å
Cell c
6.3008
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.03
°
Space Group
P2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 8.25 | 10.7226 | 13.5 | (0,1,0) |
| 11.68 | 7.5792 | 9.6 | (1,-1,0) |
| 11.68 | 7.5747 | 9.7 | (1,1,0) |
| 14.06 | 6.3008 | 1.4 | (0,0,1) |
| 16.32 | 5.4324 | 1.8 | (0,1,1) |
| 16.32 | 5.4305 | 6.7 | (1,0,1) |
| 16.53 | 5.3613 | 1.1 | (0,2,0) |
| 16.56 | 5.3541 | 1.1 | (2,0,0) |
| 18.31 | 4.8452 | 4.8 | (1,-1,1) |
| 18.32 | 4.8440 | 5.0 | (1,1,1) |
| 18.52 | 4.7913 | 2.8 | (2,-1,0) |
| 18.53 | 4.7890 | 3.6 | (2,1,0) |
| 23.31 | 3.8158 | 28.2 | (1,-2,1) |
| 23.32 | 3.8147 | 41.3 | (1,2,1) |
| 23.32 | 3.8139 | 39.2 | (2,-1,1) |
| 23.33 | 3.8127 | 25.1 | (2,1,1) |
| 23.48 | 3.7896 | 4.3 | (2,-2,0) |
| 23.49 | 3.7873 | 4.2 | (2,2,0) |
| 24.91 | 3.5742 | 2.2 | (0,3,0) |
| 26.29 | 3.3897 | 1.4 | (1,3,0) |
| 26.31 | 3.3873 | 1.5 | (3,-1,0) |
| 27.48 | 3.2461 | 1.4 | (2,2,1) |
| 28.33 | 3.1504 | 14.9 | (0,0,2) |
| 28.75 | 3.1057 | 1.9 | (3,0,1) |
Energy Properties
Formation Energy/atom
-0.88950
eV/atom
Energy/atom
-39.33614
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.3361
eV/atom
Volume/atom
22.61
ų
c/a Ratio
0.5884
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0120
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.594
Element Family
Lanthanide
Solute Fraction
0.406
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8932
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4261
J/mol·K
Ω Parameter
7.0629
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.749%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4679
smaller = more stable mixing
VEC
9.938
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.188
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6443
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293382
Reference Citation
The crystal structure and related material properties of Ho19MgIr11Ru were obtained from the Materials Project database (MP-ID: mp-3293382, 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_Ho19MgIr11Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70826607
_cell_length_b 10.72255069
_cell_length_c 6.30083528
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.03438920
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho19MgIr11Ru
_chemical_formula_sum 'Ho19 Mg1 Ir11 Ru1'
_cell_volume 723.46130888
_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 0.28429156 0.08343316 0.38172963 1.0
Ho Ho1 1 0.29320396 0.91157245 0.88485507 1.0
Ho Ho2 1 0.70679604 0.08842755 0.88485507 1.0
Ho Ho3 1 0.71570844 0.91656684 0.38172963 1.0
Ho Ho4 1 0.58914294 0.79380733 0.88457987 1.0
Ho Ho5 1 0.58521541 0.20644926 0.37941432 1.0
Ho Ho6 1 0.41478459 0.79355074 0.37941432 1.0
Ho Ho7 1 0.41085706 0.20619267 0.88457987 1.0
Ho Ho8 1 0.20810209 0.41308130 0.61980827 1.0
Ho Ho9 1 0.20802554 0.58976166 0.11758269 1.0
Ho Ho10 1 0.79197446 0.41023834 0.11758269 1.0
Ho Ho11 1 0.79189791 0.58691870 0.61980827 1.0
Ho Ho12 1 0.91109605 0.70907193 0.11700670 1.0
Ho Ho13 1 0.91540795 0.28260178 0.61783819 1.0
Ho Ho14 1 0.08459205 0.71739822 0.61783819 1.0
Ho Ho15 1 0.08890395 0.29092807 0.11700670 1.0
Ho Ho16 1 0.00000000 0.00000000 0.99791300 1.0
Ho Ho17 1 0.50000000 0.50000000 0.99759101 1.0
Ho Ho18 1 0.50000000 0.50000000 0.49781428 1.0
Mg Mg19 1 0.00000000 0.00000000 0.49774283 1.0
Ir Ir20 1 0.84697073 0.15457907 0.24653447 1.0
Ir Ir21 1 0.84602973 0.84663246 0.75173048 1.0
Ir Ir22 1 0.15397027 0.15336754 0.75173048 1.0
Ir Ir23 1 0.15302927 0.84542093 0.24653447 1.0
Ir Ir24 1 0.65428368 0.34660592 0.74668193 1.0
Ir Ir25 1 0.65439835 0.65358641 0.25139004 1.0
Ir Ir26 1 0.34560165 0.34641359 0.25139004 1.0
Ir Ir27 1 0.34571632 0.65339408 0.74668193 1.0
Ir Ir28 1 0.50000000 0.00000000 0.62812229 1.0
Ir Ir29 1 0.00000000 0.50000000 0.87228796 1.0
Ir Ir30 1 0.00000000 0.50000000 0.37717519 1.0
Ru Ru31 1 0.50000000 0.00000000 0.13305508 1.0
