Sr(GeIr)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978853 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Sr(GeIr)2

MP-ID

mp-978853

Elements

Sites

Density

10.7382

g/cm³

Volume

95.46

Å³

Cell a

6.1649

Cell b

6.1649

Cell c

6.1649

α Angle

140.13

β Angle

140.13

γ Angle

57.66

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
16.41	5.4008	65.8	(1,1,-1)
30.06	2.9729	6.5	(1,-1,0)
32.75	2.7347	23.9	(2,1,-2)
33.18	2.7004	13.4	(2,2,-2)
34.44	2.6044	100.0	(2,0,-1)
43.03	2.1021	49.9	(1,-1,1)
45.37	1.9989	43.5	(3,1,-2)
46.35	1.9590	19.5	(2,0,-2)
47.31	1.9215	5.8	(3,2,-3)
50.71	1.8003	2.7	(3,3,-3)
55.10	1.6666	10.6	(3,0,-2)
55.39	1.6588	12.9	(3,1,-3)
60.08	1.5399	24.8	(4,2,-3)
62.48	1.4864	16.5	(2,-2,0)
65.08	1.4332	7.2	(3,-1,-1)
65.85	1.4183	4.3	(4,1,-3)
68.64	1.3674	4.4	(4,2,-4)
69.64	1.3502	5.8	(4,4,-4)
70.88	1.3295	1.3	(2,-2,1)
72.36	1.3060	2.3	(3,0,-3)
72.60	1.3022	5.9	(4,0,-2)
73.33	1.2910	22.8	(3,-1,-2)
77.67	1.2293	1.1	(4,4,-5)
80.53	1.1928	16.5	(4,0,-3)

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Energy Properties

Formation Energy/atom

-0.73548

eV/atom

Energy/atom

-30.25714

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2571

eV/atom

Volume/atom

19.09

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

90.062

GPa

G_VRH

63.466

GPa

Young's Modulus E

154.181

GPa

Poisson Ratio ν

0.215

Pugh Ratio K/G

1.419

Vickers Hardness Est.

12.055

GPa

Ductility

Ductile

Anisotropy

0.538

Lame λ

47.751

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

19.1810

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.551%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4697

smaller = more stable mixing

VEC

5.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.819

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5380

Homogeneous Poisson ν

0.2150

Debye Temperature

315.0

Sound Velocity

2,688.2

m/s

Homogeneity

0.2150

Related Tasks

Related computation task IDs (5)

aaadmuwe aaadsxdi aaaelxnf aaaeuuoj aaafsadp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978853

Reference Citation

The crystal structure and related material properties of Sr(GeIr)2 were obtained from the Materials Project database (MP-ID: mp-978853, 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_Sr(GeIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16492304
_cell_length_b   6.16492304
_cell_length_c   6.16492304
_cell_angle_alpha   140.12641079
_cell_angle_beta   140.12641079
_cell_angle_gamma   57.66141213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(GeIr)2
_chemical_formula_sum   'Sr1 Ge2 Ir2'
_cell_volume   95.46349452
_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
  Sr  Sr0  1  0.00000000  0.00000000  -0.00000000  1.0
  Ge  Ge1  1  0.36870976  0.36870976  0.00000000  1.0
  Ge  Ge2  1  0.63129024  0.63129024  -0.00000000  1.0
  Ir  Ir3  1  0.25000000  0.75000000  0.50000000  1.0
  Ir  Ir4  1  0.75000000  0.25000000  0.50000000  1.0

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