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LaCo9Si4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-568056 · Space group: I4/mcm (#140)

Basic Information

Formula
LaCo9Si4
MP-ID
mp-568056
Elements
3
Sites
28
Density
7.5033
g/cm³
Volume
345.97
ų
Cell a
7.9686
Å
Cell b
7.9686
Å
Cell c
7.9695
Å
α Angle
122.06
°
β Angle
122.06
°
γ Angle
86.49
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
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
15.26 5.8047 3.2 (1,1,-1)
22.35 3.9772 6.0 (1,1,-2)
22.36 3.9768 6.0 (0,2,-1)
22.36 3.9768 6.0 (2,0,-1)
22.36 3.9759 6.0 (1,1,0)
23.04 3.8601 33.9 (1,-1,1)
23.04 3.8601 33.9 (1,-1,-1)
26.94 3.3096 8.7 (1,-2,1)
26.94 3.3096 8.7 (2,-1,-1)
26.94 3.3095 8.7 (0,1,-2)
26.94 3.3095 8.8 (1,0,-2)
26.94 3.3094 17.5 (2,-1,0)
26.95 3.3089 8.7 (1,0,1)
26.95 3.3089 8.7 (0,1,1)
27.75 3.2146 11.9 (0,2,-2)
27.75 3.2146 11.9 (2,0,-2)
27.76 3.2139 11.9 (2,0,0)
27.76 3.2139 11.9 (0,2,0)
30.81 2.9023 100.0 (2,2,-2)
32.81 2.7297 10.1 (2,-2,0)
32.81 2.7294 10.1 (0,0,2)
34.82 2.5766 2.9 (1,2,-3)
34.82 2.5766 2.9 (2,1,-3)
34.82 2.5765 2.9 (0,3,-2)
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Energy Properties

Formation Energy/atom
-0.39914
eV/atom
Energy/atom
-13.53828
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.5383
eV/atom
Volume/atom
12.36
ų
c/a Ratio
1.0001

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
20.0487
μB
Mag. Ordering
FM
Mag. Sites
18
Magnetization/Volume
0.057950
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.643
Element Family
3d-TM
Solute Fraction
0.357
Interstitial Fraction
0.286

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8305
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.9045
J/mol·K
Ω Parameter
0.3624
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.875%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2027
smaller = more stable mixing
VEC
7.143
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.458
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7559
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.794
Family
Co-based Alloy
Matrix Element
Co · 0.643

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-568056
Reference Citation

The crystal structure and related material properties of LaCo9Si4 were obtained from the Materials Project database (MP-ID: mp-568056, 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_LaCo9Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96860753
_cell_length_b   7.96861194
_cell_length_c   7.96950582
_cell_angle_alpha   122.05540262
_cell_angle_beta   122.05534169
_cell_angle_gamma   86.48776512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo9Si4
_chemical_formula_sum   'La2 Co18 Si8'
_cell_volume   345.96930077
_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
  La  La0  1  0.75001849  0.74998470  -0.00000212  1.0
  La  La1  1  0.24998764  0.25001930  0.00000426  1.0
  Co  Co2  1  0.93244091  0.80290190  0.73532129  1.0
  Co  Co3  1  0.80722687  0.30722610  0.75459211  1.0
  Co  Co4  1  0.30715098  0.55266602  0.49998165  1.0
  Co  Co5  1  0.19277170  0.69277252  0.24540512  1.0
  Co  Co6  1  0.69284586  0.44734151  0.50001758  1.0
  Co  Co7  1  0.94734076  0.19284539  0.50001598  1.0
  Co  Co8  1  0.06755565  0.19709534  0.26468116  1.0
  Co  Co9  1  0.30290054  0.43244037  0.73531958  1.0
  Co  Co10  1  0.05266628  0.80715216  0.49998258  1.0
  Co  Co11  1  0.56755083  0.30291791  0.87045505  1.0
  Co  Co12  1  0.44727593  0.94727445  0.75433598  1.0
  Co  Co13  1  0.80292087  0.06755233  0.87045920  1.0
  Co  Co14  1  0.43245322  0.69708673  0.12954407  1.0
  Co  Co15  1  0.69709414  0.56755591  0.26468054  1.0
  Co  Co16  1  0.19708768  0.93245370  0.12954567  1.0
  Co  Co17  1  0.00000445  0.50000479  0.49999661  1.0
  Co  Co18  1  0.55271968  0.05271989  0.24565667  1.0
  Co  Co19  1  0.49999090  -0.00000893  0.50000655  1.0
  Si  Si20  1  0.29101243  0.79101425  0.83484541  1.0
  Si  Si21  1  0.79101423  0.95615210  0.50001118  1.0
  Si  Si22  1  0.95614900  0.45614961  0.16519295  1.0
  Si  Si23  1  0.45615372  0.29101361  0.50001035  1.0
  Si  Si24  1  0.04385611  0.54385776  0.83481628  1.0
  Si  Si25  1  0.20898537  0.04384003  0.49998673  1.0
  Si  Si26  1  0.70898502  0.20898362  0.16514850  1.0
  Si  Si27  1  0.54384072  0.70898693  0.49998907  1.0
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