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
oI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 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) |
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
1.0000
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.538
Element Family
N/A
Solute Fraction
0.462
Interstitial Fraction
0.000
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
3D Crystal Structure Rendering
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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
