Lu2Ga10Tc2Os

High-Entropy Materials HEA

MP-ID: mp-3292330 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Lu2Ga10Tc2Os

MP-ID

mp-3292330

Elements

Sites

Density

9.6742

g/cm³

Volume

492.07

Å³

Cell a

8.9423

Cell b

8.9423

Cell c

6.1536

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
14.01	6.3232	6.9	(1,1,0)
14.39	6.1536	9.1	(0,0,1)
19.86	4.4712	1.6	(2,0,0)
20.14	4.4100	19.1	(1,1,1)
22.23	3.9991	35.3	(2,1,0)
24.61	3.6172	2.0	(2,0,1)
26.58	3.3532	12.4	(2,1,1)
28.23	3.1616	6.6	(2,2,0)
31.64	2.8278	2.1	(3,1,0)
31.82	2.8121	26.7	(2,2,1)
32.36	2.7667	2.4	(1,1,2)
34.92	2.5695	35.6	(3,1,1)
35.41	2.5347	14.3	(2,0,2)
36.22	2.4802	4.6	(3,2,0)
36.86	2.4386	83.3	(2,1,2)
39.16	2.3003	3.6	(3,2,1)
40.34	2.2356	11.0	(4,0,0)
40.93	2.2050	45.9	(2,2,2)
41.64	2.1688	90.3	(4,1,0)
42.91	2.1077	23.0	(3,3,0)
43.05	2.1012	1.8	(4,0,1)
43.46	2.0820	100.0	(3,1,2)
44.15	2.0512	16.6	(0,0,3)
45.36	1.9996	20.5	(4,2,0)

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Energy Properties

Formation Energy/atom

-0.48525

eV/atom

Energy/atom

-20.18539

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.1854

eV/atom

Volume/atom

16.40

Å³

c/a Ratio

0.6882

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

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

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9882

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2155

J/mol·K

Ω Parameter

41.5071

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.689%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2212

smaller = more stable mixing

VEC

3.467

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.199

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7128

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiic

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292330

Reference Citation

The crystal structure and related material properties of Lu2Ga10Tc2Os were obtained from the Materials Project database (MP-ID: mp-3292330, 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_Lu2Ga10Tc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94230904
_cell_length_b   8.94230904
_cell_length_c   6.15361740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Ga10Tc2Os
_chemical_formula_sum   'Lu4 Ga20 Tc4 Os2'
_cell_volume   492.07334427
_cell_formula_units_Z   2
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  0.18335793  0.31664207  0.00000000  1.0
  Lu  Lu1  1  0.68335793  0.18335793  0.00000000  1.0
  Lu  Lu2  1  0.81664207  0.68335793  0.00000000  1.0
  Lu  Lu3  1  0.31664207  0.81664207  0.00000000  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.27892212  1.0
  Ga  Ga5  1  0.50000000  0.00000000  0.72107788  1.0
  Ga  Ga6  1  0.29320614  0.55985050  0.71001737  1.0
  Ga  Ga7  1  0.00000000  0.50000000  0.27892212  1.0
  Ga  Ga8  1  0.00000000  0.50000000  0.72107788  1.0
  Ga  Ga9  1  0.05985050  0.79320614  0.71001737  1.0
  Ga  Ga10  1  0.20679386  0.05985050  0.28998263  1.0
  Ga  Ga11  1  0.05985050  0.79320614  0.28998263  1.0
  Ga  Ga12  1  0.70679386  0.44014950  0.71001737  1.0
  Ga  Ga13  1  0.20679386  0.05985050  0.71001737  1.0
  Ga  Ga14  1  0.94014950  0.20679386  0.71001737  1.0
  Ga  Ga15  1  0.70679386  0.44014950  0.28998263  1.0
  Ga  Ga16  1  0.55985050  0.70679386  0.28998263  1.0
  Ga  Ga17  1  0.94014950  0.20679386  0.28998263  1.0
  Ga  Ga18  1  0.55985050  0.70679386  0.71001737  1.0
  Ga  Ga19  1  0.79320614  0.94014950  0.28998263  1.0
  Ga  Ga20  1  0.44014950  0.29320614  0.71001737  1.0
  Ga  Ga21  1  0.79320614  0.94014950  0.71001737  1.0
  Ga  Ga22  1  0.44014950  0.29320614  0.28998263  1.0
  Ga  Ga23  1  0.29320614  0.55985050  0.28998263  1.0
  Tc  Tc24  1  0.17855936  0.32144064  0.50000000  1.0
  Tc  Tc25  1  0.32144064  0.82144064  0.50000000  1.0
  Tc  Tc26  1  0.82144064  0.67855936  0.50000000  1.0
  Tc  Tc27  1  0.67855936  0.17855936  0.50000000  1.0
  Os  Os28  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os29  1  0.50000000  0.50000000  0.00000000  1.0

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