Y7Cd(Sn11Os3)2

High-Entropy Materials HEA

MP-ID: mp-3294886 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Y7Cd(Sn11Os3)2

MP-ID

mp-3294886

Elements

Sites

Density

8.8614

g/cm³

Volume

840.96

Å³

Cell a

9.8033

Cell b

9.8033

Cell c

10.1041

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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
8.75	10.1041	20.5	(0,0,0,1)
10.42	8.4899	5.9	(1,0,-1,0)
13.62	6.5000	34.0	(1,0,-1,1)
17.55	5.0521	16.2	(0,0,0,2)
18.10	4.9017	9.6	(2,-1,-1,0)
20.13	4.4101	3.2	(2,-1,-1,1)
20.46	4.3415	10.0	(1,0,-1,2)
20.93	4.2450	17.5	(2,0,-2,0)
22.72	3.9136	37.3	(2,0,-2,1)
25.32	3.5180	5.3	(2,-1,-1,2)
26.46	3.3680	2.1	(0,0,0,3)
27.44	3.2500	37.2	(2,0,-2,2)
27.80	3.2089	1.8	(3,-1,-2,0)
29.20	3.0584	26.1	(3,-1,-2,1)
32.25	2.7759	26.1	(2,-1,-1,3)
32.87	2.7251	50.0	(3,-3,0,1)
32.87	2.7251	100.0	(3,0,-3,1)
33.07	2.7087	79.2	(3,-1,-2,2)
33.98	2.6384	82.6	(2,0,-2,3)
35.54	2.5260	33.9	(0,0,0,4)
36.39	2.4690	78.6	(3,0,-3,2)
36.67	2.4508	60.3	(4,-2,-2,0)
36.67	2.4508	30.2	(2,2,-4,0)
37.13	2.4211	49.9	(1,0,-1,4)

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Energy Properties

Formation Energy/atom

-0.39816

eV/atom

Energy/atom

-28.86004

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.8600

eV/atom

Volume/atom

23.36

Å³

c/a Ratio

1.0307

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.611

Element Family

PostTransition-Noble

Solute Fraction

0.389

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0176

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4599

J/mol·K

Ω Parameter

0.7505

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.124%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3251

smaller = more stable mixing

VEC

4.694

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.820

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7340

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmck

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294886

Reference Citation

The crystal structure and related material properties of Y7Cd(Sn11Os3)2 were obtained from the Materials Project database (MP-ID: mp-3294886, 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_Y7Cd(Sn11Os3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80332003
_cell_length_b   9.80331991
_cell_length_c   10.10410920
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y7Cd(Sn11Os3)2
_chemical_formula_sum   'Y7 Cd1 Sn22 Os6'
_cell_volume   840.95931909
_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  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.03488719  0.51744310  0.30568118  1.0
  Y  Y2  1  0.48255690  0.96511281  0.30568118  1.0
  Y  Y3  1  0.48255690  0.51744310  0.30568118  1.0
  Y  Y4  1  0.96511281  0.48255690  0.69431882  1.0
  Y  Y5  1  0.51744310  0.03488719  0.69431882  1.0
  Y  Y6  1  0.51744310  0.48255690  0.69431882  1.0
  Cd  Cd7  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn8  1  0.12203752  0.87796248  0.26841624  1.0
  Sn  Sn9  1  0.75592497  0.87796248  0.26841624  1.0
  Sn  Sn10  1  0.12203752  0.24407503  0.26841624  1.0
  Sn  Sn11  1  0.87796248  0.12203752  0.73158376  1.0
  Sn  Sn12  1  0.24407503  0.12203752  0.73158376  1.0
  Sn  Sn13  1  0.87796248  0.75592497  0.73158376  1.0
  Sn  Sn14  1  0.35000279  0.00000000  0.00000000  1.0
  Sn  Sn15  1  0.64999721  0.64999721  0.00000000  1.0
  Sn  Sn16  1  0.00000000  0.35000279  0.00000000  1.0
  Sn  Sn17  1  0.35000279  0.35000279  0.00000000  1.0
  Sn  Sn18  1  1.00000000  0.64999721  0.00000000  1.0
  Sn  Sn19  1  0.64999721  1.00000000  0.00000000  1.0
  Sn  Sn20  1  0.77825842  0.55651784  0.45965845  1.0
  Sn  Sn21  1  0.77825842  0.22174158  0.45965845  1.0
  Sn  Sn22  1  0.44348216  0.22174158  0.45965845  1.0
  Sn  Sn23  1  0.22174158  0.44348216  0.54034155  1.0
  Sn  Sn24  1  0.22174158  0.77825842  0.54034155  1.0
  Sn  Sn25  1  0.55651784  0.77825842  0.54034155  1.0
  Sn  Sn26  1  0.66666700  0.33333300  0.17122116  1.0
  Sn  Sn27  1  0.33333300  0.66666700  0.82877884  1.0
  Sn  Sn28  1  0.66666700  0.33333300  0.87488756  1.0
  Sn  Sn29  1  0.33333300  0.66666700  0.12511244  1.0
  Os  Os30  1  0.16832791  0.83167209  0.79676617  1.0
  Os  Os31  1  0.66334519  0.83167209  0.79676617  1.0
  Os  Os32  1  0.16832791  0.33665481  0.79676617  1.0
  Os  Os33  1  0.83167209  0.16832791  0.20323383  1.0
  Os  Os34  1  0.33665481  0.16832791  0.20323383  1.0
  Os  Os35  1  0.83167209  0.66334519  0.20323383  1.0

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