SrLa6Os4C9

High-Entropy Materials HEA

MP-ID: mp-3292213 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

SrLa6Os4C9

MP-ID

mp-3292213

Elements

Sites

Density

8.1018

g/cm³

Volume

366.89

Å³

Cell a

6.6029

Cell b

6.6029

Cell c

11.9883

α Angle

70.87

β Angle

109.13

γ Angle

131.20

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
7.90	11.1852	21.6	(0,0,1)
14.90	5.9451	1.5	(1,-1,-1)
15.80	5.6105	5.4	(1,-1,0)
17.92	4.9505	8.4	(1,-1,-2)
18.08	4.9059	34.7	(1,0,0)
18.57	4.7777	5.9	(1,0,-1)
20.10	4.4181	12.7	(1,-1,1)
22.14	4.0144	1.3	(1,0,-2)
23.87	3.7284	2.1	(0,0,3)
25.98	3.4302	1.2	(1,0,2)
25.98	3.4302	1.2	(0,1,-2)
26.24	3.3966	8.0	(1,-1,2)
27.62	3.2295	20.1	(2,-1,-1)
27.62	3.2295	20.1	(1,-2,-1)
27.68	3.2227	11.7	(1,0,-3)
28.60	3.1211	8.4	(2,-1,-2)
30.15	2.9646	4.0	(1,-1,-4)
31.69	2.8237	52.5	(2,-1,-3)
31.69	2.8237	52.5	(1,-2,-3)
31.90	2.8052	41.5	(2,-2,0)
32.01	2.7963	26.1	(0,0,4)
32.30	2.7713	15.7	(2,-2,-3)
32.31	2.7705	28.0	(2,-1,1)
32.31	2.7705	28.0	(1,-2,1)

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Energy Properties

Formation Energy/atom

-0.37813

eV/atom

Energy/atom

-25.13215

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.1322

eV/atom

Volume/atom

18.34

Å³

c/a Ratio

1.8156

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4592

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.450

Element Family

Metalloid-Nonmetal

Solute Fraction

0.550

Interstitial Fraction

0.450

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1922

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.9119

J/mol·K

Ω Parameter

0.4513

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.523%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6641

smaller = more stable mixing

VEC

4.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-61.317

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8600

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfidp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292213

Reference Citation

The crystal structure and related material properties of SrLa6Os4C9 were obtained from the Materials Project database (MP-ID: mp-3292213, 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_SrLa6Os4C9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60290589
_cell_length_b   6.60290510
_cell_length_c   11.98830746
_cell_angle_alpha   70.86997786
_cell_angle_beta   109.13001821
_cell_angle_gamma   131.20486780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa6Os4C9
_chemical_formula_sum   'Sr1 La6 Os4 C9'
_cell_volume   366.89354195
_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
  La  La1  1  0.13860190  0.86139510  0.61739978  1.0
  La  La2  1  0.86139410  0.13860190  0.38259922  1.0
  La  La3  1  0.14336942  0.85662758  0.31869280  1.0
  La  La4  1  0.37265593  0.62734107  0.15413033  1.0
  La  La5  1  0.62734107  0.37265593  0.84586967  1.0
  La  La6  1  0.85662758  0.14336942  0.68130720  1.0
  Os  Os7  1  0.64090218  0.35909482  0.14258677  1.0
  Os  Os8  1  0.35909582  0.64090118  0.85741323  1.0
  Os  Os9  1  0.56492767  0.43506933  0.42832037  1.0
  Os  Os10  1  0.43506933  0.56492767  0.57168063  1.0
  C  C11  1  0.38678479  0.61321221  0.70960483  1.0
  C  C12  1  0.61321321  0.38678379  0.29039617  1.0
  C  C13  1  0.39202490  0.60797210  0.38844054  1.0
  C  C14  1  0.60797110  0.39202590  0.61156046  1.0
  C  C15  1  0.08023027  0.91976673  0.81478911  1.0
  C  C16  1  0.91976773  0.08022927  0.18521089  1.0
  C  C17  1  0.49999800  0.49999800  0.00000000  1.0
  C  C18  1  0.80228382  0.19771218  0.14582051  1.0
  C  C19  1  0.19771218  0.80228482  0.85417949  1.0

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