FeAg3

Traditional Materials TRA

MP-ID: mp-1184294 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

FeAg3

MP-ID

mp-1184294

Elements

Sites

Density

9.3973

g/cm³

Volume

134.10

Å³

Cell a

5.7771

Cell b

5.7771

Cell c

4.6397

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 19)

2θ	d (Å)	I	hkl
17.73	5.0031	1.4	(1,0,-1,0)
26.20	3.4020	7.1	(1,0,-1,1)
30.96	2.8885	2.6	(2,-1,-1,0)
35.90	2.5015	24.4	(2,0,-2,0)
38.82	2.3198	26.1	(0,0,0,2)
40.99	2.2019	100.0	(2,0,-2,1)
50.46	1.8087	1.3	(2,-1,-1,2)
52.24	1.7511	1.2	(3,-1,-2,1)
53.90	1.7010	14.3	(2,0,-2,2)
64.52	1.4443	16.0	(4,-2,-2,0)
71.75	1.3155	17.4	(2,0,-2,3)
76.10	1.2508	2.4	(4,0,-4,0)
77.92	1.2261	12.2	(4,-2,-2,2)
77.92	1.2261	6.1	(2,2,-4,2)
79.34	1.2077	4.4	(4,-4,0,1)
79.34	1.2077	8.7	(4,0,-4,1)
83.31	1.1599	2.6	(0,0,0,4)
88.89	1.1009	1.1	(4,-4,0,2)
88.89	1.1009	2.3	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

0.34676

eV/atom

Energy/atom

-3.90295

eV/atom

Energy above Hull

0.3468

eV/atom

Uncorrected Energy

-3.9029

eV/atom

Volume/atom

16.76

Å³

c/a Ratio

0.8031

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0579

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.045170

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

0.606

Family

Binary Alloy

Matrix Element

Ag · 0.750

Related Tasks

Related computation task IDs (5)

aaadohge aaadvuwo aaaefunx aaaepxqb aaafbetx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184294

Reference Citation

The crystal structure and related material properties of FeAg3 were obtained from the Materials Project database (MP-ID: mp-1184294, 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_FeAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77704635
_cell_length_b   5.77704635
_cell_length_c   4.63966600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg3
_chemical_formula_sum   'Fe2 Ag6'
_cell_volume   134.10007967
_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
  Fe  Fe0  1  0.33333300  0.66666700  0.75000000  1.0
  Fe  Fe1  1  0.66666700  0.33333300  0.25000000  1.0
  Ag  Ag2  1  0.16940600  0.33881200  0.25000000  1.0
  Ag  Ag3  1  0.66118800  0.83059400  0.25000000  1.0
  Ag  Ag4  1  0.16940600  0.83059400  0.25000000  1.0
  Ag  Ag5  1  0.83059400  0.66118800  0.75000000  1.0
  Ag  Ag6  1  0.33881200  0.16940600  0.75000000  1.0
  Ag  Ag7  1  0.83059400  0.16940600  0.75000000  1.0

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