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Gd2CoSi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080595 · Space group: C2/m (#12)

Basic Information

Formula
Gd2CoSi2
MP-ID
mp-1080595
Elements
3
Sites
10
Density
7.4624
g/cm³
Volume
191.19
ų
Cell a
5.6854
Å
Cell b
5.6854
Å
Cell c
10.0138
Å
α Angle
62.69
°
β Angle
62.69
°
γ Angle
42.75
°
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
16.76 5.2898 1.3 (1,1,1)
19.99 4.4412 1.2 (1,1,2)
20.38 4.3568 1.1 (0,0,2)
23.54 3.7796 93.5 (1,0,0)
23.69 3.7557 3.1 (1,0,1)
25.95 3.4333 32.2 (1,1,-1)
27.05 3.2969 69.2 (1,1,3)
27.56 3.2369 13.9 (1,0,-1)
27.95 3.1922 24.6 (1,0,2)
30.78 2.9046 10.7 (0,0,3)
33.60 2.6671 95.0 (2,1,1)
33.89 2.6449 36.5 (2,2,2)
33.93 2.6420 70.1 (2,1,2)
34.41 2.6062 100.0 (1,0,-2)
34.61 2.5915 40.9 (1,1,-2)
34.95 2.5674 92.6 (1,0,3)
35.05 2.5604 23.7 (2,2,1)
35.88 2.5028 13.9 (1,1,4)
36.41 2.4676 1.7 (2,1,0)
37.33 2.4092 60.0 (2,1,3)
39.11 2.3035 22.4 (2,2,0)
40.63 2.2206 24.4 (2,2,4)
41.45 2.1784 32.4 (0,0,4)
41.81 2.1605 52.2 (2,1,-1)
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Energy Properties

Formation Energy/atom
-0.71314
eV/atom
Energy/atom
-9.94040
eV/atom
Energy above Hull
0.0154
eV/atom
Uncorrected Energy
-9.9688
eV/atom
Volume/atom
19.12
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
29.0884
μB
Mag. Ordering
FiM
Mag. Sites
6
Magnetization/Volume
0.152140
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 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
0.3435
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.655%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3397
smaller = more stable mixing
VEC
4.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-42.452
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.458
Family
Gd-rich Multi-Component
Matrix Element
Gd · 0.400

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1080595
Reference Citation

The crystal structure and related material properties of Gd2CoSi2 were obtained from the Materials Project database (MP-ID: mp-1080595, 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_Gd2CoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68536173
_cell_length_b   5.68536173
_cell_length_c   10.01375418
_cell_angle_alpha   62.68687527
_cell_angle_beta   62.68687527
_cell_angle_gamma   42.75098194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2CoSi2
_chemical_formula_sum   'Gd4 Co2 Si4'
_cell_volume   191.19147438
_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
  Gd  Gd0  1  0.99807100  0.99807100  0.67330800  1.0
  Gd  Gd1  1  0.00192900  0.00192900  0.32669200  1.0
  Gd  Gd2  1  0.18702900  0.18702900  0.89739900  1.0
  Gd  Gd3  1  0.81297100  0.81297100  0.10260100  1.0
  Co  Co4  1  0.27334100  0.27334100  0.38147000  1.0
  Co  Co5  1  0.72665900  0.72665900  0.61853000  1.0
  Si  Si6  1  0.34551100  0.34551100  0.56536400  1.0
  Si  Si7  1  0.65448900  0.65448900  0.43463600  1.0
  Si  Si8  1  0.50015800  0.50015800  0.87219100  1.0
  Si  Si9  1  0.49984200  0.49984200  0.12780900  1.0
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