AgIr

Traditional Materials TRA

MP-ID: mp-1183229 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

AgIr

MP-ID

mp-1183229

Elements

Sites

Density

15.4670

g/cm³

Volume

32.22

Å³

Cell a

2.7574

Cell b

2.7574

Cell c

4.8930

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

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 21)

2θ	d (Å)	I	hkl
18.13	4.8930	16.6	(0,0,0,1)
36.74	2.4465	47.8	(0,0,0,2)
37.67	2.3879	39.9	(1,0,-1,0)
42.11	2.1460	100.0	(1,0,-1,1)
42.11	2.1460	50.0	(1,-1,0,1)
53.63	1.7089	19.4	(1,0,-1,2)
53.63	1.7089	9.7	(1,-1,0,2)
56.42	1.6310	1.0	(0,0,0,3)
68.00	1.3787	7.8	(1,1,-2,0)
68.00	1.3787	15.5	(2,-1,-1,0)
69.84	1.3468	22.1	(1,0,-1,3)
69.84	1.3468	11.0	(1,-1,0,3)
71.03	1.3270	1.1	(1,1,-2,1)
71.03	1.3270	2.2	(2,-1,-1,1)
78.13	1.2233	5.3	(0,0,0,4)
79.86	1.2011	10.0	(1,1,-2,2)
79.86	1.2011	19.9	(2,-1,-1,2)
80.43	1.1940	3.0	(2,0,-2,0)
80.43	1.1940	1.5	(2,-2,0,0)
83.31	1.1599	13.9	(2,0,-2,1)
83.31	1.1599	6.9	(2,-2,0,1)

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Energy Properties

Formation Energy/atom

0.35674

eV/atom

Energy/atom

-36.50087

eV/atom

Energy above Hull

0.3567

eV/atom

Uncorrected Energy

-5.4788

eV/atom

Volume/atom

16.11

Å³

c/a Ratio

1.7745

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0207

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Binary Alloy

Matrix Element

Ag · 0.500

Related Tasks

Related computation task IDs (5)

aaadpeoa aaadrill aaadydll aaaeskco aaafisuf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183229

Reference Citation

The crystal structure and related material properties of AgIr were obtained from the Materials Project database (MP-ID: mp-1183229, 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_AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75734541
_cell_length_b   2.75734541
_cell_length_c   4.89300900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr
_chemical_formula_sum   'Ag1 Ir1'
_cell_volume   32.21729355
_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
  Ag  Ag0  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir1  1  0.66666700  0.33333300  0.00000000  1.0

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