Lu10TcRh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293863 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Lu10TcRh3

MP-ID

mp-3293863

Elements

Sites

Density

10.6734

g/cm³

Volume

335.49

Å³

Cell a

6.2260

Cell b

7.0981

Cell c

8.2371

α Angle

96.75

β Angle

111.70

γ Angle

90.05

Space Group

Point Group

Crystal System

Triclinic

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
11.66	7.5915	2.6	(0,0,1)
15.33	5.7781	2.1	(1,0,0)
15.43	5.7426	2.1	(1,0,-1)
20.35	4.3649	13.7	(1,1,0)
20.42	4.3485	13.0	(1,-1,-1)
25.30	3.5204	5.7	(0,2,0)
26.52	3.3606	2.6	(0,2,-1)
26.98	3.3047	10.4	(1,1,1)
27.15	3.2843	10.9	(1,-1,-2)
28.68	3.1129	9.3	(2,0,-1)
29.06	3.0726	43.2	(1,-2,0)
29.11	3.0680	47.0	(1,2,-1)
29.29	3.0494	40.6	(0,2,1)
30.36	2.9442	11.8	(1,2,0)
30.42	2.9388	12.2	(1,-2,-1)
30.95	2.8890	5.4	(2,0,0)
31.15	2.8713	5.7	(2,0,-2)
31.42	2.8473	75.3	(2,1,-1)
31.43	2.8467	80.1	(2,-1,-1)
32.37	2.7654	50.0	(1,-2,1)
32.42	2.7618	78.8	(0,2,-2)
32.51	2.7543	43.1	(1,2,-2)
32.70	2.7387	96.5	(1,0,2)
32.93	2.7199	100.0	(1,0,-3)

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Energy Properties

Formation Energy/atom

-0.58283

eV/atom

Energy/atom

-34.80941

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.8094

eV/atom

Volume/atom

23.96

Å³

c/a Ratio

1.3230

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

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

Lu · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.270%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4226

smaller = more stable mixing

VEC

3.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.649

Family

Lu-rich Multi-Component

Matrix Element

Lu · 0.714

Related Tasks

Related computation task IDs (1)

aaahfkpb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293863

Reference Citation

The crystal structure and related material properties of Lu10TcRh3 were obtained from the Materials Project database (MP-ID: mp-3293863, 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…

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Raw CIF Data

# generated using pymatgen
data_Lu10TcRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22595918
_cell_length_b   7.09813361
_cell_length_c   8.23705685
_cell_angle_alpha   96.75294843
_cell_angle_beta   111.70011623
_cell_angle_gamma   90.04752804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu10TcRh3
_chemical_formula_sum   'Lu10 Tc1 Rh3'
_cell_volume   335.48651563
_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
  Lu  Lu0  1  0.51930992  0.08618057  0.81260528  1.0
  Lu  Lu1  1  0.47665268  0.91687019  0.18953470  1.0
  Lu  Lu2  1  0.71606281  0.41663350  0.19017586  1.0
  Lu  Lu3  1  0.29325189  0.58342080  0.82248478  1.0
  Lu  Lu4  1  0.28936335  0.31877120  0.43680506  1.0
  Lu  Lu5  1  0.70845615  0.68380468  0.55993777  1.0
  Lu  Lu6  1  0.85074988  0.18344182  0.56296056  1.0
  Lu  Lu7  1  0.15397527  0.81400580  0.43622472  1.0
  Lu  Lu8  1  0.07788224  0.24803256  0.99985030  1.0
  Lu  Lu9  1  0.91961925  0.75121579  0.00045003  1.0
  Tc  Tc10  1  0.32286327  0.57194216  0.21075785  1.0
  Rh  Rh11  1  0.67734671  0.42532981  0.78065169  1.0
  Rh  Rh12  1  0.09999280  0.92675498  0.77531374  1.0
  Rh  Rh13  1  0.89447077  0.07359715  0.22224766  1.0

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