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YAl7Ag5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296011 · Space group: Imm2 (#44)

Basic Information

Formula
YAl7Ag5
MP-ID
mp-3296011
Elements
3
Sites
13
Density
5.9882
g/cm³
Volume
226.59
ų
Cell a
6.9859
Å
Cell b
6.9859
Å
Cell c
6.9859
Å
α Angle
133.70
°
β Angle
99.86
°
γ Angle
97.92
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
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
13.79 6.4221 23.0 (1,0,0)
18.83 4.7126 1.2 (1,0,-1)
18.83 4.7126 1.2 (0,1,0)
18.93 4.6878 10.8 (1,-1,0)
19.35 4.5867 35.1 (1,1,-1)
19.74 4.4969 100.0 (1,-1,1)
27.20 3.2784 13.3 (2,0,-1)
27.41 3.2534 31.6 (2,-1,0)
27.78 3.2111 65.9 (2,0,0)
30.89 2.8950 14.9 (2,1,-1)
31.39 2.8496 1.1 (2,-1,1)
33.54 2.6717 2.9 (2,1,-2)
34.07 2.6315 17.9 (2,-2,1)
35.55 2.5252 9.7 (2,-1,-1)
38.19 2.3563 54.4 (2,0,-2)
38.19 2.3563 54.4 (0,2,0)
38.41 2.3439 62.6 (2,-2,0)
39.22 2.2969 37.6 (3,0,-1)
39.29 2.2933 56.7 (2,2,-2)
39.48 2.2825 31.7 (3,-1,0)
40.10 2.2485 50.1 (2,-2,2)
42.22 2.1407 5.1 (3,0,0)
43.35 2.0872 52.7 (3,-1,-1)
43.35 2.0872 52.7 (1,-3,1)
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Energy Properties

Formation Energy/atom
-0.19141
eV/atom
Energy/atom
-13.59277
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.5928
eV/atom
Volume/atom
17.43
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0020
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.538
Element Family
PostTransition-Noble
Solute Fraction
0.462
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8981
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4671
J/mol·K
Ω Parameter
0.4030
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.674%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2060
smaller = more stable mixing
VEC
6.077
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-20.677
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8175
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.735
Family
Al-based Alloy
Matrix Element
Al · 0.538

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296011
Reference Citation

The crystal structure and related material properties of YAl7Ag5 were obtained from the Materials Project database (MP-ID: mp-3296011, 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_YAl7Ag5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98588242
_cell_length_b   6.98588205
_cell_length_c   6.98588228
_cell_angle_alpha   133.69968197
_cell_angle_beta   99.86162204
_cell_angle_gamma   97.92359552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl7Ag5
_chemical_formula_sum   'Y1 Al7 Ag5'
_cell_volume   226.59013340
_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
  Y  Y0  1  0.00197090  0.00000000  0.00197090  1.0
  Al  Al1  1  0.35607530  1.00000000  0.35607530  1.0
  Al  Al2  1  0.65012225  1.00000000  0.65012225  1.0
  Al  Al3  1  0.65131599  0.64705732  0.00425867  1.0
  Al  Al4  1  0.35720035  0.35294268  0.00425867  1.0
  Al  Al5  1  0.22270385  0.50000000  0.72270385  1.0
  Al  Al6  1  0.20802759  0.71341911  0.49460848  1.0
  Al  Al7  1  0.78118937  0.28658089  0.49460848  1.0
  Ag  Ag8  1  0.48735896  0.99001692  0.99479053  1.0
  Ag  Ag9  1  0.48735896  0.49256843  0.49734205  1.0
  Ag  Ag10  1  0.00477361  0.50743157  0.99479053  1.0
  Ag  Ag11  1  0.00477361  0.00998308  0.49734205  1.0
  Ag  Ag12  1  0.78712923  0.50000000  0.28712923  1.0
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