Y12Co5Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292508 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Y12Co5Sn

MP-ID

mp-3292508

Elements

Sites

Density

5.5045

g/cm³

Volume

446.54

Å³

Cell a

8.3434

Cell b

8.3434

Cell c

8.3434

α Angle

107.18

β Angle

110.23

γ Angle

111.02

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
13.19	6.7144	3.3	(1,0,0)
17.91	4.9522	2.0	(1,-1,-1)
18.60	4.7716	2.9	(1,-1,1)
18.78	4.7244	4.7	(1,1,-1)
22.73	3.9128	3.2	(1,0,1)
26.07	3.4183	1.5	(0,2,0)
28.61	3.1200	3.5	(1,-1,-2)
28.64	3.1167	4.4	(1,-2,-1)
28.64	3.1167	4.4	(2,-1,-2)
29.49	3.0287	16.3	(1,-1,2)
29.63	3.0148	3.5	(2,-1,1)
29.77	3.0015	2.7	(1,2,-1)
29.87	2.9909	19.4	(2,1,-1)
32.21	2.7788	100.0	(1,1,1)
34.37	2.6094	1.1	(0,1,2)
34.37	2.6094	1.1	(2,-3,0)
34.45	2.6035	49.9	(0,2,1)
34.84	2.5751	11.9	(1,0,2)
34.84	2.5751	35.7	(0,1,-3)
35.05	2.5602	2.3	(1,2,0)
35.20	2.5497	15.5	(2,0,1)
35.20	2.5497	5.2	(1,-3,2)
35.33	2.5406	25.2	(2,1,0)
36.28	2.4761	13.0	(2,-2,-2)

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Energy Properties

Formation Energy/atom

-0.21273

eV/atom

Energy/atom

-18.80609

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.8061

eV/atom

Volume/atom

24.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8879

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.001990

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7867

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.5406

J/mol·K

Ω Parameter

0.3650

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.039%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3179

smaller = more stable mixing

VEC

4.722

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.795

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7161

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.653

Family

Y-rich Multi-Component

Matrix Element

Y · 0.667

Related Tasks

Related computation task IDs (1)

aaahfioy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292508

Reference Citation

The crystal structure and related material properties of Y12Co5Sn were obtained from the Materials Project database (MP-ID: mp-3292508, 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_Y12Co5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34336429
_cell_length_b   8.34336439
_cell_length_c   8.34336439
_cell_angle_alpha   107.18179081
_cell_angle_beta   110.23398473
_cell_angle_gamma   111.02287973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y12Co5Sn
_chemical_formula_sum   'Y12 Co5 Sn1'
_cell_volume   446.54217980
_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  0.47398730  0.29013742  0.18384987  1.0
  Y  Y1  1  0.10628855  0.29013742  0.81615013  1.0
  Y  Y2  1  0.89371145  0.70986258  0.18384987  1.0
  Y  Y3  1  0.52601270  0.70986258  0.81615013  1.0
  Y  Y4  1  0.30406928  0.61848461  0.31441533  1.0
  Y  Y5  1  0.30406928  0.98965595  0.68558467  1.0
  Y  Y6  1  0.69593072  0.38151539  0.68558467  1.0
  Y  Y7  1  0.69593072  0.01034405  0.31441533  1.0
  Y  Y8  1  0.19655198  0.21184545  0.40839743  1.0
  Y  Y9  1  0.80344802  0.78815455  0.59160257  1.0
  Y  Y10  1  0.19655198  0.78815455  0.98470553  1.0
  Y  Y11  1  0.80344802  0.21184545  0.01529447  1.0
  Co  Co12  1  0.50000000  0.60934959  0.10934959  1.0
  Co  Co13  1  0.50000000  0.39065041  0.89065041  1.0
  Co  Co14  1  0.38215603  1.00000000  0.38215603  1.0
  Co  Co15  1  0.61784397  0.00000000  0.61784397  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn17  1  0.00000000  0.50000000  0.50000000  1.0

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