Basic Information
Formula
Gd3Al7Ag2
MP-ID
mp-637182
Elements
3
Sites
12
Density
6.1953
g/cm³
Volume
234.89
ų
Cell a
9.3680
Å
Cell b
9.3680
Å
Cell c
9.3680
Å
α Angle
34.47
°
β Angle
34.47
°
γ Angle
34.47
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 10.05 | 8.8028 | 5.2 | (1,1,1) |
| 18.76 | 4.7294 | 17.2 | (1,0,0) |
| 20.18 | 4.4014 | 37.3 | (2,2,2) |
| 22.88 | 3.8861 | 16.1 | (2,1,1) |
| 30.11 | 2.9678 | 27.5 | (3,2,2) |
| 30.46 | 2.9343 | 5.8 | (3,3,3) |
| 32.25 | 2.7754 | 82.9 | (1,0,-1) |
| 32.91 | 2.7212 | 18.2 | (3,3,2) |
| 33.87 | 2.6470 | 1.8 | (2,1,0) |
| 37.58 | 2.3937 | 9.9 | (1,-1,1) |
| 37.58 | 2.3937 | 5.0 | (1,1,-1) |
| 38.34 | 2.3476 | 100.0 | (3,2,1) |
| 38.91 | 2.3146 | 8.0 | (4,3,3) |
| 39.92 | 2.2586 | 9.5 | (2,2,0) |
| 41.01 | 2.2007 | 7.9 | (4,4,4) |
| 41.27 | 2.1877 | 2.0 | (3,1,1) |
| 42.07 | 2.1478 | 6.8 | (4,4,3) |
| 44.70 | 2.0271 | 2.2 | (3,3,1) |
| 44.96 | 2.0163 | 12.0 | (4,3,2) |
| 46.75 | 1.9431 | 2.9 | (4,2,2) |
| 48.66 | 1.8712 | 1.0 | (5,4,4) |
| 50.34 | 1.8127 | 2.7 | (2,0,-1) |
| 51.40 | 1.7776 | 1.3 | (4,4,2) |
| 51.94 | 1.7606 | 4.9 | (5,5,5) |
Energy Properties
Formation Energy/atom
-0.48852
eV/atom
Energy/atom
-18.82414
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.8241
eV/atom
Volume/atom
19.57
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.4650
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.031780
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.583
Element Family
N/A
Solute Fraction
0.417
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.730
Family
Al-based Alloy
Matrix Element
Al · 0.583
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-637182
Reference Citation
The crystal structure and related material properties of Gd3Al7Ag2 were obtained from the Materials Project database (MP-ID: mp-637182, 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_Gd3Al7Ag2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.36799143
_cell_length_b 9.36799143
_cell_length_c 9.36799158
_cell_angle_alpha 34.46692428
_cell_angle_beta 34.46692428
_cell_angle_gamma 34.46692665
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd3Al7Ag2
_chemical_formula_sum 'Gd3 Al7 Ag2'
_cell_volume 234.89085256
_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
Gd Gd0 1 0.14274873 0.14274873 0.14274973 1.0
Gd Gd1 1 0.85725027 0.85725127 0.85725027 1.0
Gd Gd2 1 0.00000000 -0.00000000 0.00000000 1.0
Al Al3 1 0.58642536 0.58642536 0.07594974 1.0
Al Al4 1 0.41357464 0.92405026 0.41357464 1.0
Al Al5 1 0.58642536 0.07594974 0.58642536 1.0
Al Al6 1 0.07594974 0.58642536 0.58642536 1.0
Al Al7 1 0.41357364 0.41357464 0.92405026 1.0
Al Al8 1 0.50000000 0.50000000 0.50000000 1.0
Al Al9 1 0.92405026 0.41357464 0.41357464 1.0
Ag Ag10 1 0.33570930 0.33570930 0.33570930 1.0
Ag Ag11 1 0.66429070 0.66429070 0.66429070 1.0
