Na2La4HoAu10
High-Entropy Materials HEAMP-ID: mp-3294289 · Space group: Cmce (#64)
Basic Information
Formula
Na2La4HoAu10
MP-ID
mp-3294289
Elements
4
Sites
34
Density
11.5877
g/cm³
Volume
784.20
ų
Cell a
8.7703
Å
Cell b
8.7703
Å
Cell c
10.6064
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
106.00
°
Space Group
Cmce
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 12.64 | 7.0044 | 13.9 | (1,-1,0) |
| 13.42 | 6.5996 | 1.5 | (1,0,1) |
| 16.72 | 5.3032 | 14.8 | (0,0,2) |
| 16.80 | 5.2779 | 13.0 | (1,1,0) |
| 18.78 | 4.7252 | 5.3 | (1,1,1) |
| 19.78 | 4.4889 | 3.1 | (1,0,2) |
| 21.01 | 4.2281 | 1.5 | (1,-1,2) |
| 21.08 | 4.2152 | 1.4 | (2,0,0) |
| 22.44 | 3.9614 | 13.0 | (2,-1,1) |
| 23.79 | 3.7410 | 30.5 | (1,1,2) |
| 25.43 | 3.5022 | 8.5 | (2,-2,0) |
| 27.02 | 3.2998 | 13.8 | (2,0,2) |
| 30.43 | 2.9374 | 2.5 | (1,1,3) |
| 31.17 | 2.8698 | 3.4 | (1,2,2) |
| 31.17 | 2.8698 | 3.4 | (2,1,2) |
| 32.89 | 2.7233 | 47.5 | (2,-1,3) |
| 32.97 | 2.7164 | 24.7 | (0,3,1) |
| 32.97 | 2.7164 | 24.7 | (3,0,1) |
| 33.07 | 2.7088 | 17.5 | (2,0,3) |
| 33.80 | 2.6516 | 34.7 | (0,0,4) |
| 33.97 | 2.6389 | 30.6 | (2,2,0) |
| 34.17 | 2.6238 | 19.4 | (3,-2,1) |
| 35.04 | 2.5609 | 20.8 | (2,2,1) |
| 35.10 | 2.5567 | 100.0 | (1,-3,2) |
Energy Properties
Formation Energy/atom
-0.82138
eV/atom
Energy/atom
-39.92952
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.9295
eV/atom
Volume/atom
23.06
ų
c/a Ratio
1.2094
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0039
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
Au · 0.588
Element Family
5d-TM
Solute Fraction
0.412
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0710
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9044
J/mol·K
Ω Parameter
0.2260
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.063%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7262
smaller = more stable mixing
VEC
7.941
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-47.782
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7726
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294289
Reference Citation
The crystal structure and related material properties of Na2La4HoAu10 were obtained from the Materials Project database (MP-ID: mp-3294289, 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_Na2La4HoAu10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.77025467
_cell_length_b 8.77025606
_cell_length_c 10.60643591
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.00303282
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2La4HoAu10
_chemical_formula_sum 'Na4 La8 Ho2 Au20'
_cell_volume 784.20389424
_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
Na Na0 1 0.51171954 0.01171954 0.25000000 1.0
Na Na1 1 0.98828046 0.48828046 0.75000000 1.0
Na Na2 1 0.01171954 0.51171954 0.25000000 1.0
Na Na3 1 0.48828046 0.98828046 0.75000000 1.0
La La4 1 0.70373238 0.29626762 0.00000000 1.0
La La5 1 0.20373238 0.79626762 0.50000000 1.0
La La6 1 0.80078813 0.80078813 0.29751411 1.0
La La7 1 0.30078813 0.30078813 0.20248589 1.0
La La8 1 0.79626762 0.20373238 0.50000000 1.0
La La9 1 0.29626762 0.70373238 0.00000000 1.0
La La10 1 0.69921187 0.69921187 0.79751411 1.0
La La11 1 0.19921187 0.19921187 0.70248589 1.0
Ho Ho12 1 0.00000000 0.00000000 0.00000000 1.0
Ho Ho13 1 0.50000000 0.50000000 0.50000000 1.0
Au Au14 1 0.15214673 0.42960178 0.48648690 1.0
Au Au15 1 0.90286561 0.90286561 0.59426893 1.0
Au Au16 1 0.57039822 0.84785327 0.51351310 1.0
Au Au17 1 0.88167236 0.15785012 0.20825213 1.0
Au Au18 1 0.38167236 0.65785012 0.29174787 1.0
Au Au19 1 0.65785012 0.38167236 0.29174787 1.0
Au Au20 1 0.40286561 0.40286561 0.90573107 1.0
Au Au21 1 0.92960178 0.65214673 0.01351310 1.0
Au Au22 1 0.34214988 0.61832764 0.70825213 1.0
Au Au23 1 0.34785327 0.07039822 0.98648690 1.0
Au Au24 1 0.59713439 0.59713439 0.09426893 1.0
Au Au25 1 0.65214673 0.92960178 0.01351310 1.0
Au Au26 1 0.09713439 0.09713439 0.40573107 1.0
Au Au27 1 0.61832764 0.34214988 0.70825213 1.0
Au Au28 1 0.11832764 0.84214988 0.79174787 1.0
Au Au29 1 0.07039822 0.34785327 0.98648690 1.0
Au Au30 1 0.84785327 0.57039822 0.51351310 1.0
Au Au31 1 0.15785012 0.88167236 0.20825213 1.0
Au Au32 1 0.42960178 0.15214673 0.48648690 1.0
Au Au33 1 0.84214988 0.11832764 0.79174787 1.0
