Lu2Ga10Os3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296912 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Lu2Ga10Os3

MP-ID

mp-3296912

Elements

Sites

Density

11.0263

g/cm³

Volume

487.29

Å³

Cell a

8.8049

Cell b

8.8049

Cell c

6.2855

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
14.23	6.2260	1.8	(1,1,0)
20.07	4.4233	20.7	(1,1,1)
20.17	4.4024	8.3	(2,0,0)
22.58	3.9377	55.8	(2,1,0)
24.69	3.6059	10.3	(2,0,1)
28.40	3.1428	4.0	(0,0,2)
28.68	3.1130	8.6	(2,2,0)
32.09	2.7896	12.9	(2,2,1)
32.15	2.7844	5.1	(3,1,0)
35.08	2.5579	20.5	(2,0,2)
35.25	2.5458	15.4	(3,1,1)
36.58	2.4563	100.0	(2,1,2)
36.80	2.4420	2.4	(3,2,0)
39.59	2.2763	1.6	(3,2,1)
40.80	2.2117	41.9	(2,2,2)
41.00	2.2012	6.1	(4,0,0)
42.32	2.1355	89.9	(4,1,0)
43.18	2.0952	8.6	(0,0,3)
43.42	2.0841	92.4	(3,1,2)
43.56	2.0775	2.3	(4,0,1)
43.61	2.0753	25.3	(3,3,0)
44.82	2.0220	1.8	(4,1,1)
45.69	1.9858	3.5	(1,1,3)
46.06	1.9707	6.0	(3,3,1)

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Energy Properties

Formation Energy/atom

-0.49112

eV/atom

Energy/atom

-23.79400

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.7940

eV/atom

Volume/atom

16.24

Å³

c/a Ratio

0.7139

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

0.8609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1571

J/mol·K

Ω Parameter

13.4569

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.689%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2632

smaller = more stable mixing

VEC

3.867

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.596

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7836

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.596

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.667

Related Tasks

Related computation task IDs (1)

aaahfpci

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296912

Reference Citation

The crystal structure and related material properties of Lu2Ga10Os3 were obtained from the Materials Project database (MP-ID: mp-3296912, 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_Lu2Ga10Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80487385
_cell_length_b   8.80487385
_cell_length_c   6.28554407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Ga10Os3
_chemical_formula_sum   'Lu4 Ga20 Os6'
_cell_volume   487.29185474
_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  0.18306569  0.31693431  0.00000000  1.0
  Lu  Lu1  1  0.68306569  0.18306569  0.00000000  1.0
  Lu  Lu2  1  0.81693431  0.68306569  0.00000000  1.0
  Lu  Lu3  1  0.31693431  0.81693431  0.00000000  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.27910949  1.0
  Ga  Ga5  1  0.50000000  0.00000000  0.72089051  1.0
  Ga  Ga6  1  0.29228589  0.56129732  0.70829519  1.0
  Ga  Ga7  1  0.00000000  0.50000000  0.27910949  1.0
  Ga  Ga8  1  0.00000000  0.50000000  0.72089051  1.0
  Ga  Ga9  1  0.06129732  0.79228589  0.70829519  1.0
  Ga  Ga10  1  0.20771411  0.06129732  0.29170481  1.0
  Ga  Ga11  1  0.06129732  0.79228589  0.29170481  1.0
  Ga  Ga12  1  0.70771411  0.43870268  0.70829519  1.0
  Ga  Ga13  1  0.20771411  0.06129732  0.70829519  1.0
  Ga  Ga14  1  0.93870268  0.20771411  0.70829519  1.0
  Ga  Ga15  1  0.70771411  0.43870268  0.29170481  1.0
  Ga  Ga16  1  0.56129732  0.70771411  0.29170481  1.0
  Ga  Ga17  1  0.93870268  0.20771411  0.29170481  1.0
  Ga  Ga18  1  0.56129732  0.70771411  0.70829519  1.0
  Ga  Ga19  1  0.79228589  0.93870268  0.29170481  1.0
  Ga  Ga20  1  0.43870268  0.29228589  0.70829519  1.0
  Ga  Ga21  1  0.79228589  0.93870268  0.70829519  1.0
  Ga  Ga22  1  0.43870268  0.29228589  0.29170481  1.0
  Ga  Ga23  1  0.29228589  0.56129732  0.29170481  1.0
  Os  Os24  1  0.17825313  0.32174687  0.50000000  1.0
  Os  Os25  1  0.32174687  0.82174687  0.50000000  1.0
  Os  Os26  1  0.82174687  0.67825313  0.50000000  1.0
  Os  Os27  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os28  1  0.67825313  0.17825313  0.50000000  1.0
  Os  Os29  1  0.50000000  0.50000000  0.00000000  1.0

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