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Sr2GdCoCu2O7

High-Entropy Materials HEA

MP-ID: mp-560285 · Space group: Ima2 (#46)

Basic Information

Formula
Sr2GdCoCu2O7
MP-ID
mp-560285
Elements
5
Sites
26
Density
6.0147
g/cm³
Volume
348.14
ų
Cell a
5.4633
Å
Cell b
5.5327
Å
Cell c
12.1565
Å
α Angle
103.16
°
β Angle
102.99
°
γ Angle
89.99
°
Space Group
Ima2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
7.68 11.5177 100.0 (0,0,1)
15.39 5.7589 3.7 (0,0,2)
19.78 4.4890 1.2 (0,1,-2)
19.78 4.4886 1.2 (0,1,1)
22.87 3.8877 7.1 (1,1,-1)
22.88 3.8872 7.0 (1,-1,0)
23.17 3.8392 3.3 (0,0,3)
24.16 3.6836 3.2 (1,1,-2)
24.16 3.6834 3.2 (1,1,0)
24.16 3.6832 3.2 (1,-1,1)
24.16 3.6830 3.2 (1,-1,-1)
25.15 3.5405 1.3 (0,1,-3)
25.16 3.5402 1.3 (0,1,2)
32.36 2.7664 54.9 (0,2,-1)
32.78 2.7318 47.7 (1,1,-4)
32.79 2.7316 47.7 (1,-1,3)
32.79 2.7316 47.8 (1,1,2)
32.79 2.7316 57.1 (2,0,-1)
32.79 2.7314 47.7 (1,-1,-3)
33.31 2.6899 1.1 (0,2,-2)
33.31 2.6898 1.1 (0,2,0)
38.92 2.3140 12.2 (1,1,-5)
38.92 2.3139 12.1 (1,-1,4)
38.92 2.3138 12.1 (1,1,3)
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Energy Properties

Formation Energy/atom
-1.86340
eV/atom
Energy/atom
-7.05021
eV/atom
Energy above Hull
0.4196
eV/atom
Uncorrected Energy
-6.5543
eV/atom
Volume/atom
13.39
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
0.1166
μB
Mag. Ordering
FiM
Mag. Sites
12
Magnetization/Volume
0.000340
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.538
Element Family
Metalloid-Nonmetal
Solute Fraction
0.462
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3039
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8404
J/mol·K
Ω Parameter
5.2505
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
51.750%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0294
smaller = more stable mixing
VEC
5.077
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.358
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8101
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-560285
Reference Citation

The crystal structure and related material properties of Sr2GdCoCu2O7 were obtained from the Materials Project database (MP-ID: mp-560285, 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_Sr2GdCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46325139
_cell_length_b   5.53272347
_cell_length_c   12.15646205
_cell_angle_alpha   103.16066498
_cell_angle_beta   102.98706165
_cell_angle_gamma   89.99240400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GdCoCu2O7
_chemical_formula_sum   'Sr4 Gd2 Co2 Cu4 O14'
_cell_volume   348.14147018
_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
  Sr  Sr0  1  0.84960000  0.83589200  0.69503100  1.0
  Sr  Sr1  1  0.15479500  0.16406400  0.30521400  1.0
  Sr  Sr2  1  0.34947900  0.35890200  0.69479600  1.0
  Sr  Sr3  1  0.65466900  0.64084300  0.30498700  1.0
  Gd  Gd4  1  0.50229500  0.50017600  0.99991800  1.0
  Gd  Gd5  1  0.00233800  0.00020400  0.00004300  1.0
  Co  Co6  1  0.72026700  0.18790800  0.50000400  1.0
  Co  Co7  1  0.21902500  0.81154300  0.50002300  1.0
  Cu  Cu8  1  0.93060100  0.42744900  0.85518900  1.0
  Cu  Cu9  1  0.43050100  0.92781600  0.85508000  1.0
  Cu  Cu10  1  0.07553800  0.57285300  0.14488400  1.0
  Cu  Cu11  1  0.57551500  0.07229600  0.14475000  1.0
  O  O12  1  0.68723300  0.18329300  0.86739500  1.0
  O  O13  1  0.31459400  0.31097700  0.12637200  1.0
  O  O14  1  0.81967900  0.81700100  0.13219600  1.0
  O  O15  1  0.19876100  0.63606200  0.35138500  1.0
  O  O16  1  0.84950300  0.36399300  0.64835200  1.0
  O  O17  1  0.18812900  0.68934400  0.87393500  1.0
  O  O18  1  0.18751300  0.18445400  0.86781900  1.0
  O  O19  1  0.87005900  0.87064800  0.50000800  1.0
  O  O20  1  0.68794100  0.68473700  0.87361100  1.0
  O  O21  1  0.37149600  0.12760700  0.50001000  1.0
  O  O22  1  0.81408700  0.31537500  0.12608500  1.0
  O  O23  1  0.70113400  0.21551800  0.35161300  1.0
  O  O24  1  0.32020000  0.81622800  0.13261600  1.0
  O  O25  1  0.34724900  0.78481600  0.64868500  1.0
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