Y9LuCdIn7

High-Entropy Materials HEA

MP-ID: mp-3297049 · Space group: P312 (#149)

Materials Project API

Basic Information

Formula

Y9LuCdIn7

MP-ID

mp-3297049

Elements

Sites

Density

6.3359

g/cm³

Volume

495.67

Å³

Cell a

9.2502

Cell b

9.2502

Cell c

6.6890

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P312

Point Group

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
11.04	8.0109	2.2	(1,0,-1,0)
17.27	5.1344	1.9	(1,0,-1,1)
19.19	4.6251	1.3	(2,-1,-1,0)
22.19	4.0054	1.1	(2,0,-2,0)
23.38	3.8042	3.5	(2,-1,-1,1)
26.65	3.3445	6.1	(0,0,0,2)
32.46	2.7584	31.3	(3,-1,-2,1)
33.05	2.7102	100.0	(2,-1,-1,2)
33.56	2.6703	83.0	(3,0,-3,0)
40.17	2.2446	1.2	(3,-1,-2,2)
41.31	2.1856	1.2	(4,-2,-2,1)
42.89	2.1085	4.1	(4,-1,-3,1)
42.89	2.1085	8.1	(4,-3,-1,1)
43.36	2.0868	2.5	(3,0,-3,2)
47.82	1.9021	9.3	(2,2,-4,2)
47.82	1.9021	18.7	(4,-2,-2,2)
50.86	1.7954	8.6	(3,-1,-2,3)
51.57	1.7722	4.8	(5,-2,-3,1)
52.34	1.7481	2.2	(5,-1,-4,0)
54.90	1.6722	8.9	(0,0,0,4)
58.66	1.5738	4.7	(4,-1,-3,3)
59.68	1.5493	22.4	(5,-1,-4,2)
60.01	1.5417	5.2	(6,-3,-3,0)
60.01	1.5417	2.6	(3,-6,3,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.56080

eV/atom

Energy/atom

-22.73065

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7307

eV/atom

Volume/atom

27.54

Å³

c/a Ratio

0.7231

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

1.0861

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0350

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6051

J/mol·K

Ω Parameter

0.5459

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2712

smaller = more stable mixing

VEC

3.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.019

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7466

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfphp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3297049

Reference Citation

The crystal structure and related material properties of Y9LuCdIn7 were obtained from the Materials Project database (MP-ID: mp-3297049, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Y9LuCdIn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25017831
_cell_length_b   9.25017793
_cell_length_c   6.68897590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y9LuCdIn7
_chemical_formula_sum   'Y9 Lu1 Cd1 In7'
_cell_volume   495.66752233
_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  0.33333300  0.66666700  0.50000000  1.0
  Y  Y1  1  0.66666700  0.33333300  0.50000000  1.0
  Y  Y2  1  0.66666700  0.33333300  0.00000000  1.0
  Y  Y3  1  0.28498672  0.99934161  0.75098854  1.0
  Y  Y4  1  0.71435489  0.99934161  0.24901146  1.0
  Y  Y5  1  0.00065839  0.28564511  0.75098854  1.0
  Y  Y6  1  0.00065839  0.71501328  0.24901146  1.0
  Y  Y7  1  0.71435489  0.71501328  0.75098854  1.0
  Y  Y8  1  0.28498672  0.28564511  0.24901146  1.0
  Lu  Lu9  1  0.33333300  0.66666700  0.00000000  1.0
  Cd  Cd10  1  0.00000000  0.00000000  0.50000000  1.0
  In  In11  1  0.00000000  0.00000000  0.00000000  1.0
  In  In12  1  0.62436387  0.99899018  0.75086559  1.0
  In  In13  1  0.37462731  0.99899018  0.24913441  1.0
  In  In14  1  0.00100982  0.62537269  0.75086559  1.0
  In  In15  1  0.00100982  0.37563613  0.24913441  1.0
  In  In16  1  0.37462731  0.37563613  0.75086559  1.0
  In  In17  1  0.62436387  0.62537269  0.24913441  1.0

Get direct link