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Er2CoSi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-568728 · Space group: C2/m (#12)

Basic Information

Formula
Er2CoSi2
MP-ID
mp-568728
Elements
3
Sites
10
Density
8.2035
g/cm³
Volume
182.02
ų
Cell a
4.1222
Å
Cell b
5.5044
Å
Cell c
8.8981
Å
α Angle
83.34
°
β Angle
76.61
°
γ Angle
68.01
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.38 5.1013 1.8 (0,1,0)
20.53 4.3258 2.1 (0,0,2)
23.78 3.7416 50.1 (1,0,0)
23.78 3.7416 50.1 (1,1,1)
23.90 3.7226 1.8 (1,0,1)
23.90 3.7226 1.8 (1,1,0)
26.58 3.3533 39.4 (0,1,2)
27.46 3.2478 68.3 (0,1,-2)
27.85 3.2039 17.9 (1,0,-1)
28.17 3.1683 24.9 (1,0,2)
31.01 2.8839 11.7 (0,0,3)
34.45 2.6033 41.4 (1,-1,0)
34.45 2.6033 41.4 (1,2,1)
34.71 2.5841 37.3 (1,-1,1)
34.71 2.5841 37.3 (1,2,0)
34.76 2.5809 100.0 (1,0,-2)
35.19 2.5506 41.2 (0,2,0)
35.19 2.5500 98.5 (1,0,3)
35.25 2.5461 34.4 (0,1,3)
36.28 2.4763 14.3 (0,1,-3)
36.40 2.4683 19.6 (0,2,1)
38.04 2.3658 29.6 (1,-1,2)
38.04 2.3658 29.6 (1,2,-1)
40.47 2.2290 21.5 (0,2,2)
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Energy Properties

Formation Energy/atom
-0.74795
eV/atom
Energy/atom
-6.17184
eV/atom
Energy above Hull
0.0017
eV/atom
Uncorrected Energy
-20.5133
eV/atom
Volume/atom
18.20
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.7329
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.004030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.400

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
1.3698
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
19.228%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3202
smaller = more stable mixing
VEC
8.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.200
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.467
Family
Er-rich Multi-Component
Matrix Element
Er · 0.400

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-568728
Reference Citation

The crystal structure and related material properties of Er2CoSi2 were obtained from the Materials Project database (MP-ID: mp-568728, 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_Er2CoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12218520
_cell_length_b   5.50438678
_cell_length_c   8.89812306
_cell_angle_alpha   83.34152334
_cell_angle_beta   76.60680917
_cell_angle_gamma   68.00996763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2CoSi2
_chemical_formula_sum   'Er4 Co2 Si4'
_cell_volume   182.02388317
_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
  Er  Er0  1  -0.00201463  0.67530515  0.32872311  1.0
  Er  Er1  1  0.18793090  0.72879481  0.89534239  1.0
  Er  Er2  1  0.00201463  0.32469485  0.67127689  1.0
  Er  Er3  1  0.81206910  0.27120519  0.10465761  1.0
  Co  Co4  1  0.27226657  0.08249289  0.37297498  1.0
  Co  Co5  1  0.72773343  0.91750711  0.62702502  1.0
  Si  Si6  1  0.50422767  0.86659822  0.12494644  1.0
  Si  Si7  1  0.49577233  0.13340178  0.87505356  1.0
  Si  Si8  1  0.34963631  0.73577036  0.56495602  1.0
  Si  Si9  1  0.65036369  0.26422964  0.43504398  1.0
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