SrIr2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-318 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

SrIr2

MP-ID

mp-318

Elements

Sites

Density

13.6771

g/cm³

Volume

114.62

Å³

Cell a

5.4525

Cell b

5.4525

Cell c

5.4525

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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
19.94	4.4520	33.3	(0,0,1)
19.94	4.4520	66.5	(1,0,0)
19.94	4.4520	33.3	(0,1,0)
32.85	2.7263	4.9	(1,0,-1)
32.85	2.7263	4.9	(1,1,2)
32.85	2.7263	4.9	(2,1,1)
32.85	2.7263	4.9	(0,1,-1)
32.85	2.7263	9.7	(1,2,1)
38.73	2.3250	25.0	(0,1,2)
38.73	2.3250	25.0	(1,1,-1)
38.73	2.3250	50.1	(2,1,0)
38.73	2.3250	25.0	(2,1,2)
38.73	2.3250	50.1	(1,-1,-1)
38.73	2.3250	50.1	(2,2,1)
38.73	2.3250	50.1	(1,2,0)
38.73	2.3250	25.0	(0,2,1)
40.53	2.2260	50.0	(0,0,2)
40.53	2.2260	100.0	(2,0,0)
40.53	2.2260	50.0	(0,2,0)
47.14	1.9278	38.6	(2,2,0)
47.14	1.9278	19.3	(2,0,2)
51.67	1.7690	2.8	(1,0,-2)
51.67	1.7690	2.8	(1,1,3)
51.67	1.7690	2.8	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.33007

eV/atom

Energy/atom

-40.28486

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.2849

eV/atom

Volume/atom

19.10

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0029

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

K_VRH

146.445

GPa

G_VRH

51.052

GPa

Young's Modulus E

137.212

GPa

Poisson Ratio ν

0.344

Pugh Ratio K/G

2.869

Vickers Hardness Est.

2.818

GPa

Ductility

Brittle

Anisotropy

0.099

Lame λ

112.410

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ir · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Binary Alloy

Matrix Element

Ir · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0990

Homogeneous Poisson ν

0.3440

Debye Temperature

258.8

Sound Velocity

2,170.4

m/s

Homogeneity

0.3440

Related Tasks

Related computation task IDs (5)

aaadmujm aaadsqxl aaaelefh aaaeuumc aaafwxnx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-318

Reference Citation

The crystal structure and related material properties of SrIr2 were obtained from the Materials Project database (MP-ID: mp-318, 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_SrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45252390
_cell_length_b   5.45251712
_cell_length_c   5.45252883
_cell_angle_alpha   59.99998492
_cell_angle_beta   60.00003980
_cell_angle_gamma   59.99995763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIr2
_chemical_formula_sum   'Sr2 Ir4'
_cell_volume   114.62452033
_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
  Sr  Sr0  1  0.12500000  0.12499900  0.12500100  1.0
  Sr  Sr1  1  0.87500000  0.87500100  0.87499900  1.0
  Ir  Ir2  1  -0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir3  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir4  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0

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