Y3Tm2Lu5In8

High-Entropy Materials HEA

MP-ID: mp-3296446 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Y3Tm2Lu5In8

MP-ID

mp-3296446

Elements

Sites

Density

8.4047

g/cm³

Volume

473.77

Å³

Cell a

9.1262

Cell b

9.1262

Cell c

6.5637

α Angle

90.00

β Angle

90.00

γ Angle

119.93

Space Group

Amm2

Point Group

mm2

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
11.19	7.9092	4.3	(1,0,-1,0)
11.19	7.9092	4.3	(0,1,-1,0)
17.56	5.0509	1.3	(1,0,-1,1)
17.57	5.0487	1.6	(1,-1,0,1)
19.43	4.5681	2.4	(1,1,-2,0)
19.45	4.5631	4.0	(2,-1,-1,0)
26.33	3.3846	1.3	(2,-2,0,1)
27.17	3.2818	5.3	(0,0,0,2)
29.47	3.0312	2.1	(1,0,-1,2)
29.88	2.9903	1.4	(2,1,-3,0)
29.90	2.9880	1.9	(3,-1,-2,0)
29.92	2.9866	1.4	(3,-2,-1,0)
32.91	2.7212	13.1	(2,1,-3,1)
32.94	2.7195	12.0	(3,-1,-2,1)
32.95	2.7184	12.0	(3,-2,-1,1)
33.63	2.6653	49.8	(1,1,-2,2)
33.64	2.6643	100.0	(2,-1,-1,2)
34.00	2.6364	82.5	(3,0,-3,0)
34.04	2.6336	41.7	(3,-3,0,0)
35.55	2.5255	1.2	(2,0,-2,2)
39.50	2.2815	1.8	(4,-2,-2,0)
40.84	2.2094	1.0	(3,-1,-2,2)
43.49	2.0810	4.4	(3,1,-4,1)
43.51	2.0799	4.5	(4,-1,-3,1)

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Energy Properties

Formation Energy/atom

-0.54214

eV/atom

Energy/atom

-28.44275

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.4428

eV/atom

Volume/atom

26.32

Å³

c/a Ratio

0.7192

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9630

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2590

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.4673

J/mol·K

Ω Parameter

2.2134

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2634

smaller = more stable mixing

VEC

3.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.805

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9082

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfokk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296446

Reference Citation

The crystal structure and related material properties of Y3Tm2Lu5In8 were obtained from the Materials Project database (MP-ID: mp-3296446, 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_Y3Tm2Lu5In8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12618701
_cell_length_b   9.12618685
_cell_length_c   6.56366462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92816153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tm2Lu5In8
_chemical_formula_sum   'Y3 Tm2 Lu5 In8'
_cell_volume   473.77229584
_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  0.71161463  0.99694662  0.25000000  1.0
  Y  Y1  1  0.99694662  0.71161463  0.25000000  1.0
  Y  Y2  1  0.71377815  0.71377815  0.75000000  1.0
  Tm  Tm3  1  0.29084820  0.99707151  0.75000000  1.0
  Tm  Tm4  1  0.99707151  0.29084820  0.75000000  1.0
  Lu  Lu5  1  0.33128991  0.66336626  0.50007140  1.0
  Lu  Lu6  1  0.66336626  0.33128991  0.50007140  1.0
  Lu  Lu7  1  0.66336626  0.33128991  0.99992860  1.0
  Lu  Lu8  1  0.33128991  0.66336626  0.99992860  1.0
  Lu  Lu9  1  0.29127482  0.29127482  0.25000000  1.0
  In  In10  1  0.00897047  0.00897047  0.50212009  1.0
  In  In11  1  0.00897047  0.00897047  0.99787991  1.0
  In  In12  1  0.62552478  0.00084077  0.75000000  1.0
  In  In13  1  0.37279967  0.00098488  0.25000000  1.0
  In  In14  1  0.00084077  0.62552478  0.75000000  1.0
  In  In15  1  0.00098488  0.37279967  0.25000000  1.0
  In  In16  1  0.37060415  0.37060415  0.75000000  1.0
  In  In17  1  0.62046052  0.62046052  0.25000000  1.0

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