Er8P14Ir15Rh
High-Entropy Materials HEAMP-ID: mp-3292182 · Space group: Pm (#6)
Basic Information
Formula
Er8P14Ir15Rh
MP-ID
mp-3292182
Elements
4
Sites
38
Density
12.5200
g/cm³
Volume
631.04
ų
Cell a
3.9209
Å
Cell b
12.5201
Å
Cell c
13.0166
Å
α Angle
80.96
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
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 |
|---|---|---|---|
| 6.88 | 12.8549 | 4.5 | (0,0,1) |
| 7.15 | 12.3645 | 11.8 | (0,1,0) |
| 13.78 | 6.4274 | 7.0 | (0,0,2) |
| 14.33 | 6.1822 | 11.5 | (0,2,0) |
| 16.51 | 5.3681 | 3.0 | (0,1,-2) |
| 16.86 | 5.2580 | 6.0 | (0,2,-1) |
| 20.85 | 4.2612 | 9.2 | (0,1,3) |
| 21.56 | 4.1215 | 10.8 | (0,3,0) |
| 23.33 | 3.8135 | 2.2 | (0,2,3) |
| 23.74 | 3.7474 | 2.9 | (0,3,2) |
| 23.81 | 3.7375 | 3.8 | (1,1,0) |
| 26.63 | 3.3472 | 4.0 | (1,0,2) |
| 26.93 | 3.3111 | 3.2 | (1,2,0) |
| 27.12 | 3.2881 | 23.2 | (0,2,-3) |
| 27.48 | 3.2454 | 14.4 | (0,3,-2) |
| 27.76 | 3.2137 | 5.6 | (0,0,4) |
| 28.40 | 3.1432 | 6.7 | (1,2,-1) |
| 28.62 | 3.1189 | 12.2 | (0,4,1) |
| 28.88 | 3.0911 | 1.6 | (0,4,0) |
| 29.24 | 3.0547 | 15.9 | (0,2,4) |
| 29.28 | 3.0499 | 12.1 | (1,2,2) |
| 29.80 | 2.9978 | 5.7 | (0,1,-4) |
| 30.04 | 2.9743 | 1.3 | (0,4,2) |
| 30.91 | 2.8926 | 14.6 | (1,0,3) |
Energy Properties
Formation Energy/atom
-1.15441
eV/atom
Energy/atom
-32.91649
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-32.9165
eV/atom
Volume/atom
16.61
ų
c/a Ratio
3.3198
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0053
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ir · 0.395
Element Family
5d-TM
Solute Fraction
0.605
Interstitial Fraction
0.368
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1586
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6322
J/mol·K
Ω Parameter
1.3315
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.699%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3908
smaller = more stable mixing
VEC
8.158
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
11.838
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8357
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292182
Reference Citation
The crystal structure and related material properties of Er8P14Ir15Rh were obtained from the Materials Project database (MP-ID: mp-3292182, 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
Loading 3D structure…
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Raw CIF Data
# generated using pymatgen
data_Er8P14Ir15Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92085968
_cell_length_b 12.52007546
_cell_length_c 13.01663005
_cell_angle_alpha 80.95741561
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er8P14Ir15Rh
_chemical_formula_sum 'Er8 P14 Ir15 Rh1'
_cell_volume 631.03796476
_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
Er Er0 1 0.75000000 0.79021758 0.56268027 1.0
Er Er1 1 0.25000000 0.20944563 0.43770214 1.0
Er Er2 1 0.75000000 0.47907608 0.70680690 1.0
Er Er3 1 0.25000000 0.52033904 0.29312248 1.0
Er Er4 1 0.75000000 0.72053044 0.89832783 1.0
Er Er5 1 0.25000000 0.10329387 0.79127911 1.0
Er Er6 1 0.75000000 0.89697597 0.20924849 1.0
Er Er7 1 0.25000000 0.27986120 0.10146811 1.0
P P8 1 0.25000000 0.90737877 0.41269789 1.0
P P9 1 0.75000000 0.47004756 0.12890000 1.0
P P10 1 0.25000000 0.53007904 0.87117969 1.0
P P11 1 0.75000000 0.09193826 0.58689002 1.0
P P12 1 0.25000000 0.74276275 0.07978460 1.0
P P13 1 0.75000000 0.25736099 0.92000192 1.0
P P14 1 0.75000000 0.15637608 0.28224005 1.0
P P15 1 0.25000000 0.84397216 0.71766039 1.0
P P16 1 0.25000000 0.05181186 0.10126624 1.0
P P17 1 0.75000000 0.94837002 0.89832828 1.0
P P18 1 0.25000000 0.31173746 0.68973174 1.0
P P19 1 0.75000000 0.68793564 0.31034362 1.0
P P20 1 0.25000000 0.60900171 0.56628229 1.0
P P21 1 0.75000000 0.39068625 0.43385244 1.0
Ir Ir22 1 0.75000000 0.01107313 0.42558622 1.0
Ir Ir23 1 0.25000000 0.66208118 0.72936083 1.0
Ir Ir24 1 0.75000000 0.33781914 0.27062783 1.0
Ir Ir25 1 0.25000000 0.55167860 0.04865448 1.0
Ir Ir26 1 0.75000000 0.44878186 0.95124654 1.0
Ir Ir27 1 0.25000000 0.05935673 0.27399120 1.0
Ir Ir28 1 0.75000000 0.94122255 0.72545786 1.0
Ir Ir29 1 0.25000000 0.42146496 0.52344654 1.0
Ir Ir30 1 0.75000000 0.57828078 0.47663492 1.0
Ir Ir31 1 0.25000000 0.91587952 0.99687059 1.0
Ir Ir32 1 0.75000000 0.08426772 0.00292131 1.0
Ir Ir33 1 0.25000000 0.72944676 0.39523211 1.0
Ir Ir34 1 0.75000000 0.27013334 0.60451557 1.0
Ir Ir35 1 0.25000000 0.34074522 0.85893426 1.0
Ir Ir36 1 0.75000000 0.65947773 0.14112938 1.0
Rh Rh37 1 0.25000000 0.98909043 0.57559387 1.0
