DyErHf3Ge4
High-Entropy Materials HEAMP-ID: mp-3292167 · Space group: P1 (#1)
Basic Information
Formula
DyErHf3Ge4
MP-ID
mp-3292167
Elements
4
Sites
36
Density
10.6023
g/cm³
Volume
724.08
ų
Cell a
7.3488
Å
Cell b
7.3511
Å
Cell c
13.4037
Å
α Angle
90.01
°
β Angle
90.02
°
γ Angle
90.00
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 13.74 | 6.4461 | 6.8 | (0,1,-1) |
| 13.74 | 6.4447 | 5.9 | (0,1,1) |
| 13.74 | 6.4446 | 6.4 | (1,0,-1) |
| 13.74 | 6.4430 | 5.6 | (1,0,1) |
| 17.06 | 5.1972 | 3.5 | (1,-1,0) |
| 17.06 | 5.1972 | 3.5 | (1,1,0) |
| 17.91 | 4.9532 | 1.3 | (0,1,-2) |
| 17.91 | 4.9526 | 1.6 | (1,0,-2) |
| 17.91 | 4.9519 | 1.2 | (0,1,2) |
| 17.92 | 4.9512 | 1.5 | (1,0,2) |
| 21.63 | 4.1077 | 2.7 | (1,1,-2) |
| 21.64 | 4.1070 | 2.7 | (1,-1,-2) |
| 21.64 | 4.1069 | 2.7 | (1,-1,2) |
| 21.64 | 4.1062 | 2.6 | (1,1,2) |
| 24.21 | 3.6755 | 1.7 | (0,2,0) |
| 24.22 | 3.6744 | 1.5 | (2,0,0) |
| 25.12 | 3.5449 | 3.9 | (0,2,-1) |
| 25.12 | 3.5444 | 4.1 | (0,2,1) |
| 25.13 | 3.5439 | 4.1 | (2,0,-1) |
| 25.13 | 3.5434 | 4.3 | (2,0,1) |
| 26.30 | 3.3887 | 16.5 | (1,1,-3) |
| 26.30 | 3.3881 | 16.7 | (1,-1,-3) |
| 26.31 | 3.3880 | 16.7 | (1,-1,3) |
| 26.31 | 3.3874 | 16.9 | (1,1,3) |
Energy Properties
Formation Energy/atom
-0.90115
eV/atom
Energy/atom
-29.43997
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.4400
eV/atom
Volume/atom
20.11
ų
c/a Ratio
1.8239
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.8432
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001160
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2149
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.1006
J/mol·K
Ω Parameter
1.0842
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.180%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3676
smaller = more stable mixing
VEC
5.556
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-16.402
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8764
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292167
Reference Citation
The crystal structure and related material properties of DyErHf3Ge4 were obtained from the Materials Project database (MP-ID: mp-3292167, 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_DyErHf3Ge4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34876801
_cell_length_b 7.35104529
_cell_length_c 13.40368362
_cell_angle_alpha 90.01497551
_cell_angle_beta 90.01665492
_cell_angle_gamma 90.00045270
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyErHf3Ge4
_chemical_formula_sum 'Dy4 Er4 Hf12 Ge16'
_cell_volume 724.08203193
_cell_formula_units_Z 4
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
Dy Dy0 1 0.99859315 0.34099342 0.21848990 1.0
Dy Dy1 1 0.00139366 0.65894546 0.71852682 1.0
Dy Dy2 1 0.15895399 0.49868121 0.46837650 1.0
Dy Dy3 1 0.50145440 0.84099539 0.03151956 1.0
Er Er4 1 0.84157640 0.50068629 0.96848244 1.0
Er Er5 1 0.49920230 0.15849971 0.53144220 1.0
Er Er6 1 0.34153802 0.99929738 0.78153839 1.0
Er Er7 1 0.65850128 0.00074162 0.28159423 1.0
Hf Hf8 1 0.16992689 0.16992497 0.99990937 1.0
Hf Hf9 1 0.82977069 0.83040652 0.50000104 1.0
Hf Hf10 1 0.33021651 0.67011694 0.25005429 1.0
Hf Hf11 1 0.66970931 0.32996429 0.75008624 1.0
Hf Hf12 1 0.15755273 0.99705523 0.37603625 1.0
Hf Hf13 1 0.84230325 0.00317760 0.87573109 1.0
Hf Hf14 1 0.50299991 0.65777236 0.62597900 1.0
Hf Hf15 1 0.34245442 0.49656973 0.87404654 1.0
Hf Hf16 1 0.49690681 0.34224809 0.12567911 1.0
Hf Hf17 1 0.65747693 0.50349361 0.37430376 1.0
Hf Hf18 1 0.99637707 0.15772267 0.62441191 1.0
Hf Hf19 1 0.00337195 0.84242439 0.12405458 1.0
Ge Ge20 1 0.36783993 0.30018744 0.32389841 1.0
Ge Ge21 1 0.63333809 0.69872496 0.82421825 1.0
Ge Ge22 1 0.19977432 0.86783486 0.57401655 1.0
Ge Ge23 1 0.13336855 0.80116336 0.92577155 1.0
Ge Ge24 1 0.80079532 0.13321581 0.07367597 1.0
Ge Ge25 1 0.86562561 0.19830537 0.42611742 1.0
Ge Ge26 1 0.30170695 0.36559813 0.67597844 1.0
Ge Ge27 1 0.69932579 0.63325123 0.17631904 1.0
Ge Ge28 1 0.29807326 0.03482248 0.18234385 1.0
Ge Ge29 1 0.70116565 0.96576078 0.68191510 1.0
Ge Ge30 1 0.46582641 0.79882227 0.43196209 1.0
Ge Ge31 1 0.20214188 0.53490230 0.06769838 1.0
Ge Ge32 1 0.53436115 0.20200121 0.93173697 1.0
Ge Ge33 1 0.79701006 0.46489116 0.56791767 1.0
Ge Ge34 1 0.03443020 0.29781720 0.81830079 1.0
Ge Ge35 1 0.96493815 0.70298055 0.31786628 1.0
