Ag3Ru

Traditional Materials TRA

MP-ID: mp-1183261 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ag3Ru

MP-ID

mp-1183261

Elements

Sites

Density

10.2359

g/cm³

Volume

137.79

Å³

Cell a

5.8175

Cell b

5.8175

Cell c

4.7012

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 13)

2θ	d (Å)	I	hkl
35.64	2.5190	36.4	(2,0,-2,0)
38.29	2.3506	39.6	(0,0,0,2)
40.63	2.2204	100.0	(2,0,-2,1)
40.63	2.2204	50.0	(2,-2,0,1)
53.30	1.7186	14.6	(2,0,-2,2)
53.30	1.7186	7.3	(2,-2,0,2)
64.02	1.4544	24.5	(4,-2,-2,0)
70.81	1.3306	27.1	(2,0,-2,3)
75.48	1.2595	3.7	(4,0,-4,0)
77.12	1.2368	28.3	(4,-2,-2,2)
78.64	1.2166	20.1	(4,0,-4,1)
81.98	1.1753	4.0	(0,0,0,4)
87.96	1.1102	5.2	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

0.52443

eV/atom

Energy/atom

-21.84861

eV/atom

Energy above Hull

0.5244

eV/atom

Uncorrected Energy

-3.9186

eV/atom

Volume/atom

17.22

Å³

c/a Ratio

0.8081

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.3121

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.024040

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 (5)

aaadofhi aaadvrja aaaefhrs aaaeqdvy aaafbauh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183261

Reference Citation

The crystal structure and related material properties of Ag3Ru were obtained from the Materials Project database (MP-ID: mp-1183261, 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…

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Raw CIF Data

# generated using pymatgen
data_Ag3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81746570
_cell_length_b   5.81746570
_cell_length_c   4.70122900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Ru
_chemical_formula_sum   'Ag6 Ru2'
_cell_volume   137.78746694
_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
  Ag  Ag0  1  0.16835100  0.33670200  0.25000000  1.0
  Ag  Ag1  1  0.66329800  0.83164900  0.25000000  1.0
  Ag  Ag2  1  0.16835100  0.83164900  0.25000000  1.0
  Ag  Ag3  1  0.83164900  0.66329800  0.75000000  1.0
  Ag  Ag4  1  0.33670200  0.16835100  0.75000000  1.0
  Ag  Ag5  1  0.83164900  0.16835100  0.75000000  1.0
  Ru  Ru6  1  0.33333300  0.66666700  0.75000000  1.0
  Ru  Ru7  1  0.66666700  0.33333300  0.25000000  1.0

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