Y8CrOs3C8

High-Entropy Materials HEA

MP-ID: mp-3296355 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y8CrOs3C8

MP-ID

mp-3296355

Elements

Sites

Density

7.3426

g/cm³

Volume

323.40

Å³

Cell a

5.0958

Cell b

6.4724

Cell c

9.8054

α Angle

90.09

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

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
9.02	9.8054	16.7	(0,0,1)
13.68	6.4724	7.7	(0,1,0)
16.40	5.4056	4.6	(0,1,-1)
16.42	5.3978	5.9	(0,1,1)
17.40	5.0958	4.7	(1,0,0)
18.09	4.9027	10.4	(0,0,2)
19.63	4.5216	32.9	(1,0,1)
22.20	4.0038	5.1	(1,1,0)
22.74	3.9111	16.0	(0,1,-2)
22.77	3.9051	16.6	(0,1,2)
24.00	3.7080	5.5	(1,1,-1)
24.02	3.7054	9.0	(1,1,1)
25.21	3.5330	3.8	(1,0,2)
27.29	3.2685	1.9	(0,0,3)
27.56	3.2362	20.7	(0,2,0)
28.77	3.1026	5.6	(1,1,-2)
28.80	3.0996	7.4	(1,1,2)
29.07	3.0717	3.6	(0,2,1)
30.62	2.9194	8.7	(0,1,-3)
30.66	2.9157	15.9	(0,1,3)
32.55	2.7512	89.6	(1,0,3)
32.78	2.7319	36.4	(1,2,0)
33.14	2.7028	11.2	(0,2,-2)
33.19	2.6989	15.8	(0,2,2)

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Energy Properties

Formation Energy/atom

-0.48760

eV/atom

Energy/atom

-21.29339

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2934

eV/atom

Volume/atom

16.17

Å³

c/a Ratio

1.9242

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0087

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.400

Element Family

4d-TM

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1674

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7057

J/mol·K

Ω Parameter

0.3117

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

35.629%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6082

smaller = more stable mixing

VEC

4.300

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-88.869

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8421

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfogx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296355

Reference Citation

The crystal structure and related material properties of Y8CrOs3C8 were obtained from the Materials Project database (MP-ID: mp-3296355, 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_Y8CrOs3C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09576454
_cell_length_b   6.47243699
_cell_length_c   9.80536883
_cell_angle_alpha   90.09035690
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8CrOs3C8
_chemical_formula_sum   'Y8 Cr1 Os3 C8'
_cell_volume   323.40041896
_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
  Y  Y0  1  0.25000000  0.68440025  0.55865165  1.0
  Y  Y1  1  0.75000000  0.31948540  0.44569144  1.0
  Y  Y2  1  0.75000000  0.81639967  0.05269661  1.0
  Y  Y3  1  0.25000000  0.17802574  0.94291687  1.0
  Y  Y4  1  0.25000000  0.53077522  0.21326716  1.0
  Y  Y5  1  0.75000000  0.47197718  0.78162909  1.0
  Y  Y6  1  0.75000000  0.97482613  0.71553883  1.0
  Y  Y7  1  0.25000000  0.03058335  0.28599913  1.0
  Cr  Cr8  1  0.25000000  0.72603871  0.86213292  1.0
  Os  Os9  1  0.75000000  0.27558433  0.13627635  1.0
  Os  Os10  1  0.75000000  0.77666860  0.36332641  1.0
  Os  Os11  1  0.25000000  0.22673764  0.63843289  1.0
  C  C12  1  0.25000000  0.46626364  0.76485675  1.0
  C  C13  1  0.75000000  0.54101840  0.24160798  1.0
  C  C14  1  0.75000000  0.04017042  0.25796274  1.0
  C  C15  1  0.25000000  0.95337579  0.74440425  1.0
  C  C16  1  0.25000000  0.81118839  0.04039280  1.0
  C  C17  1  0.75000000  0.17827393  0.95300153  1.0
  C  C18  1  0.75000000  0.67882730  0.54832693  1.0
  C  C19  1  0.25000000  0.31937791  0.45288665  1.0

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