GdAg3

Traditional Materials TRA

MP-ID: mp-1184474 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

GdAg3

MP-ID

mp-1184474

Elements

Sites

Density

9.2176

g/cm³

Volume

173.25

Å³

Cell a

6.3596

Cell b

6.3596

Cell c

4.9463

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

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
24.18	3.6801	6.8	(1,0,-1,1)
28.06	3.1798	1.9	(2,-1,-1,0)
32.51	2.7538	36.6	(2,0,-2,0)
36.33	2.4732	37.0	(0,0,0,2)
37.38	2.4060	100.0	(2,0,-2,1)
37.38	2.4060	50.0	(2,-2,0,1)
43.47	2.0817	1.1	(2,1,-3,0)
43.47	2.0817	2.1	(3,-1,-2,0)
46.52	1.9522	1.1	(2,-1,-1,2)
49.54	1.8400	21.7	(2,0,-2,2)
53.22	1.7211	2.4	(3,0,-3,1)
57.90	1.5926	1.8	(3,-1,-2,2)
58.01	1.5899	25.3	(4,-2,-2,0)
63.77	1.4595	1.2	(4,-1,-3,1)
66.05	1.4146	17.8	(2,0,-2,3)
66.05	1.4146	8.9	(2,-2,0,3)
68.10	1.3769	3.8	(4,0,-4,0)
70.40	1.3374	27.9	(4,-2,-2,2)
71.07	1.3265	13.1	(4,0,-4,1)
71.07	1.3265	6.6	(4,-4,0,1)
77.13	1.2366	3.9	(0,0,0,4)
78.06	1.2242	1.8	(5,-2,-3,1)
79.71	1.2030	4.9	(4,0,-4,2)
86.22	1.1281	4.4	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

1.05618

eV/atom

Energy/atom

-25.80998

eV/atom

Energy above Hull

1.2439

eV/atom

Uncorrected Energy

-4.6171

eV/atom

Volume/atom

21.66

Å³

c/a Ratio

0.7778

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.4649

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.020000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.686

Family

Binary Alloy

Matrix Element

Ag · 0.750

Related Tasks

Related computation task IDs (4)

aaadecqx aaadohjo aaadvqmq aaaeqefp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184474

Reference Citation

The crystal structure and related material properties of GdAg3 were obtained from the Materials Project database (MP-ID: mp-1184474, 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_GdAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35959763
_cell_length_b   6.35959763
_cell_length_c   4.94633900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdAg3
_chemical_formula_sum   'Gd2 Ag6'
_cell_volume   173.25022366
_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  0.33333300  0.66666700  0.75000000  1.0
  Gd  Gd1  1  0.66666700  0.33333300  0.25000000  1.0
  Ag  Ag2  1  0.15565600  0.31131100  0.25000000  1.0
  Ag  Ag3  1  0.68868900  0.84434400  0.25000000  1.0
  Ag  Ag4  1  0.15565600  0.84434400  0.25000000  1.0
  Ag  Ag5  1  0.84434400  0.68868900  0.75000000  1.0
  Ag  Ag6  1  0.31131100  0.15565600  0.75000000  1.0
  Ag  Ag7  1  0.84434400  0.15565600  0.75000000  1.0

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