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Ce10Al3SiOs6

High-Entropy Materials HEA

MP-ID: mp-3297046 · Space group: R3 (#146)

Basic Information

Formula
Ce10Al3SiOs6
MP-ID
mp-3297046
Elements
4
Sites
20
Density
9.6566
g/cm³
Volume
455.96
ų
Cell a
8.3908
Å
Cell b
8.3908
Å
Cell c
8.3908
Å
α Angle
109.40
°
β Angle
109.40
°
γ Angle
109.40
°
Space Group
R3
Point Group
3
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.89 6.8660 1.6 (1,0,0)
12.93 6.8481 1.3 (1,0,-1)
18.30 4.8487 9.2 (1,1,-1)
22.41 3.9676 21.5 (1,1,0)
22.47 3.9572 25.8 (2,0,-1)
22.47 3.9572 12.9 (2,-1,0)
22.49 3.9537 8.3 (1,1,-2)
22.49 3.9537 16.6 (2,-1,-1)
25.95 3.4330 36.7 (2,0,0)
26.02 3.4240 35.4 (2,0,-2)
29.10 3.0690 57.5 (2,1,-1)
29.14 3.0642 64.4 (2,1,-2)
31.88 2.8067 14.3 (1,1,1)
32.00 2.7969 12.8 (1,1,-3)
32.00 2.7969 25.6 (3,-1,-1)
34.54 2.5971 83.7 (2,1,0)
34.60 2.5922 100.0 (3,0,-1)
34.64 2.5893 90.6 (3,0,-2)
34.66 2.5883 70.6 (3,-1,-2)
37.08 2.4243 4.0 (2,2,-2)
37.08 2.4243 8.0 (2,-2,2)
39.37 2.2887 3.7 (2,2,-1)
39.37 2.2887 6.7 (2,-1,2)
39.43 2.2854 15.3 (3,1,-2)
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Energy Properties

Formation Energy/atom
-0.47254
eV/atom
Energy/atom
-33.23692
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.2369
eV/atom
Volume/atom
22.80
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
8.7493
μB
Mag. Ordering
FiM
Mag. Sites
16
Magnetization/Volume
0.019190
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.050

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1421
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.4956
J/mol·K
Ω Parameter
0.5229
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.729%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4752
smaller = more stable mixing
VEC
4.550
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-31.781
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8239
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297046
Reference Citation

The crystal structure and related material properties of Ce10Al3SiOs6 were obtained from the Materials Project database (MP-ID: mp-3297046, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ce10Al3SiOs6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39081832
_cell_length_b   8.39081835
_cell_length_c   8.39081900
_cell_angle_alpha   109.40016869
_cell_angle_beta   109.40017018
_cell_angle_gamma   109.40015922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce10Al3SiOs6
_chemical_formula_sum   'Ce10 Al3 Si1 Os6'
_cell_volume   455.96170766
_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
  Ce  Ce0  1  0.76981658  0.76981658  0.76981658  1.0
  Ce  Ce1  1  0.31060028  0.56004157  0.74891703  1.0
  Ce  Ce2  1  0.74891703  0.31060028  0.56004157  1.0
  Ce  Ce3  1  0.56004157  0.74891703  0.31060028  1.0
  Ce  Ce4  1  0.71813721  0.49877440  0.00644164  1.0
  Ce  Ce5  1  0.00644164  0.71813721  0.49877440  1.0
  Ce  Ce6  1  0.49877440  0.00644164  0.71813721  1.0
  Ce  Ce7  1  0.24544841  0.19346238  0.94902972  1.0
  Ce  Ce8  1  0.94902972  0.24544841  0.19346238  1.0
  Ce  Ce9  1  0.19346238  0.94902972  0.24544841  1.0
  Al  Al10  1  0.09555287  0.50269877  0.99968293  1.0
  Al  Al11  1  0.99968293  0.09555287  0.50269877  1.0
  Al  Al12  1  0.50269877  0.99968293  0.09555287  1.0
  Si  Si13  1  0.39469349  0.39469349  0.39469349  1.0
  Os  Os14  1  0.87860867  0.13221443  0.75121672  1.0
  Os  Os15  1  0.75121672  0.87860867  0.13221443  1.0
  Os  Os16  1  0.13221443  0.75121672  0.87860867  1.0
  Os  Os17  1  0.26067822  0.61606233  0.36792335  1.0
  Os  Os18  1  0.36792335  0.26067822  0.61606233  1.0
  Os  Os19  1  0.61606233  0.36792335  0.26067822  1.0
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