Er8Ge(Pd5Pt)4
高熵材料 HEAMP-ID: mp-3293134 · Space group: P4/mmm (#123)
Basic Information
Formula
Er8Ge(Pd5Pt)4
MP-ID
mp-3293134
Elements
4
Sites
33
Density
12.8099
g/cm³
Volume
559.93
ų
Cell a
8.2442
Å
Cell b
8.2442
Å
Cell c
8.2382
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.73 | 8.2442 | 2.4 | (1,0,0) |
| 10.74 | 8.2382 | 3.7 | (0,0,1) |
| 15.20 | 5.8274 | 1.1 | (1,0,1) |
| 21.56 | 4.1221 | 1.4 | (2,0,0) |
| 30.68 | 2.9137 | 3.5 | (2,0,2) |
| 32.59 | 2.7479 | 1.0 | (2,2,1) |
| 37.81 | 2.3793 | 100.0 | (2,2,2) |
| 43.93 | 2.0611 | 34.8 | (4,0,0) |
| 43.96 | 2.0596 | 17.4 | (0,0,4) |
| 45.36 | 1.9992 | 2.9 | (3,2,2) |
| 45.37 | 1.9987 | 2.3 | (2,2,3) |
| 63.87 | 1.4574 | 10.7 | (4,4,0) |
| 63.90 | 1.4569 | 21.5 | (4,0,4) |
| 76.68 | 1.2428 | 22.7 | (6,2,2) |
| 76.73 | 1.2421 | 11.3 | (2,2,6) |
| 80.78 | 1.1897 | 10.4 | (4,4,4) |
| 81.79 | 1.1776 | 1.2 | (6,2,3) |
Energy Properties
Formation Energy/atom
-0.99522
eV/atom
Energy/atom
-29.79630
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.7963
eV/atom
Volume/atom
16.97
ų
c/a Ratio
0.9993
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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
Pd · 0.606
Element Family
4d-TM
Solute Fraction
0.394
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0088
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.3869
J/mol·K
Ω Parameter
2.1955
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.295%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4159
smaller = more stable mixing
VEC
10.303
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.986
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7277
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293134
Reference Citation
The crystal structure and related material properties of Er8Ge(Pd5Pt)4 were obtained from the Materials Project database (MP-ID: mp-3293134, 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_Er8Ge(Pd5Pt)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24420426
_cell_length_b 8.24420426
_cell_length_c 8.23822134
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er8Ge(Pd5Pt)4
_chemical_formula_sum 'Er8 Ge1 Pd20 Pt4'
_cell_volume 559.92639770
_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 0.25408977 0.25408977 0.25440369 1.0
Er Er1 1 0.74591023 0.74591023 0.74559631 1.0
Er Er2 1 0.74591023 0.74591023 0.25440369 1.0
Er Er3 1 0.74591023 0.25408977 0.74559631 1.0
Er Er4 1 0.25408977 0.25408977 0.74559631 1.0
Er Er5 1 0.25408977 0.74591023 0.25440369 1.0
Er Er6 1 0.25408977 0.74591023 0.74559631 1.0
Er Er7 1 0.74591023 0.25408977 0.25440369 1.0
Ge Ge8 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd9 1 0.25931414 0.50000000 0.00000000 1.0
Pd Pd10 1 0.74068586 0.50000000 0.00000000 1.0
Pd Pd11 1 0.00000000 0.25951044 0.50000000 1.0
Pd Pd12 1 0.50000000 0.25931414 0.00000000 1.0
Pd Pd13 1 0.00000000 0.74048956 0.50000000 1.0
Pd Pd14 1 0.50000000 0.74068586 0.00000000 1.0
Pd Pd15 1 0.50000000 0.00000000 0.25913684 1.0
Pd Pd16 1 0.25951044 0.00000000 0.50000000 1.0
Pd Pd17 1 0.50000000 0.00000000 0.74086316 1.0
Pd Pd18 1 0.74048956 0.00000000 0.50000000 1.0
Pd Pd19 1 0.00000000 0.50000000 0.25913684 1.0
Pd Pd20 1 0.00000000 0.50000000 0.74086316 1.0
Pd Pd21 1 0.50000000 0.50000000 0.25180580 1.0
Pd Pd22 1 0.50000000 0.50000000 0.74819420 1.0
Pd Pd23 1 0.28863197 0.00000000 0.00000000 1.0
Pd Pd24 1 0.71136803 0.00000000 0.00000000 1.0
Pd Pd25 1 0.00000000 0.28863197 0.00000000 1.0
Pd Pd26 1 0.00000000 0.71136803 0.00000000 1.0
Pd Pd27 1 0.00000000 0.00000000 0.28834078 1.0
Pd Pd28 1 0.00000000 0.00000000 0.71165922 1.0
Pt Pt29 1 0.25264259 0.50000000 0.50000000 1.0
Pt Pt30 1 0.74735741 0.50000000 0.50000000 1.0
Pt Pt31 1 0.50000000 0.25264259 0.50000000 1.0
Pt Pt32 1 0.50000000 0.74735741 0.50000000 1.0
