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Gd3Ag

Traditional Materials TRA

MP-ID: mp-1185588 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Gd3Ag
MP-ID
mp-1185588
Elements
2
Sites
8
Density
8.5033
g/cm³
Volume
226.38
ų
Cell a
6.9249
Å
Cell b
6.9249
Å
Cell c
5.4509
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 21)
2θd (Å)Ihkl
22.04 4.0337 2.8 (1,0,-1,1)
29.80 2.9986 15.9 (2,0,-2,0)
29.80 2.9986 8.0 (2,-2,0,0)
32.86 2.7255 24.8 (0,0,0,2)
34.13 2.6273 100.0 (2,0,-2,1)
44.94 2.0169 15.4 (2,0,-2,2)
52.89 1.7312 6.2 (2,2,-4,0)
52.89 1.7312 12.5 (4,-2,-2,0)
59.48 1.5540 20.0 (2,0,-2,3)
61.89 1.4993 2.9 (4,0,-4,0)
63.68 1.4613 7.1 (2,2,-4,2)
63.68 1.4613 14.1 (4,-2,-2,2)
64.46 1.4456 10.1 (4,0,-4,1)
64.46 1.4456 5.1 (4,-4,0,1)
68.90 1.3627 2.9 (0,0,0,4)
71.87 1.3137 3.7 (4,0,-4,2)
76.84 1.2406 3.1 (2,0,-2,4)
83.62 1.1564 5.0 (4,0,-4,3)
83.62 1.1564 2.5 (4,-4,0,3)
85.72 1.1334 1.5 (6,-2,-4,0)
88.02 1.1096 13.0 (6,-2,-4,1)
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Energy Properties

Formation Energy/atom
0.00243
eV/atom
Energy/atom
-37.88429
eV/atom
Energy above Hull
0.1264
eV/atom
Uncorrected Energy
-11.2932
eV/atom
Volume/atom
28.30
ų
c/a Ratio
0.7872

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
46.6627
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.206130
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.637
Family
Binary Alloy
Matrix Element
Gd · 0.750

Related Tasks

Related computation task IDs (5)
aaadeicr aaadpefe aaadvsos aaaeqidf aaafbgva

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1185588
Reference Citation

The crystal structure and related material properties of Gd3Ag were obtained from the Materials Project database (MP-ID: mp-1185588, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Gd3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92494363
_cell_length_b   6.92494363
_cell_length_c   5.45094200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Ag
_chemical_formula_sum   'Gd6 Ag2'
_cell_volume   226.37824748
_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  0.17265900  0.34531800  0.25000000  1.0
  Gd  Gd1  1  0.65468200  0.82734100  0.25000000  1.0
  Gd  Gd2  1  0.17265900  0.82734100  0.25000000  1.0
  Gd  Gd3  1  0.82734100  0.65468200  0.75000000  1.0
  Gd  Gd4  1  0.34531800  0.17265900  0.75000000  1.0
  Gd  Gd5  1  0.82734100  0.17265900  0.75000000  1.0
  Ag  Ag6  1  0.33333300  0.66666700  0.75000000  1.0
  Ag  Ag7  1  0.66666700  0.33333300  0.25000000  1.0
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