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Lu5Ga3

Traditional Materials TRA

MP-ID: mp-1094132 · Space group: C2/m (#12)

Basic Information

Formula
Lu5Ga3
MP-ID
mp-1094132
Elements
2
Sites
16
Density
9.5071
g/cm³
Volume
378.67
ų
Cell a
8.3349
Å
Cell b
8.3349
Å
Cell c
6.2902
Å
α Angle
89.18
°
β Angle
89.18
°
γ Angle
119.90
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.25 7.2234 2.0 (1,0,-1,0)
21.30 4.1722 3.6 (1,1,-2,0)
21.32 4.1670 7.3 (2,-1,-1,0)
24.65 3.6117 27.9 (2,0,-2,0)
24.68 3.6073 13.6 (2,-2,0,0)
25.28 3.5229 6.4 (1,1,-2,1)
25.48 3.4964 20.5 (2,-1,-1,1)
25.82 3.4510 19.1 (2,-1,-1,-1)
25.96 3.4318 8.8 (1,1,-2,-1)
28.19 3.1656 3.5 (2,0,-2,1)
28.39 3.1438 27.9 (0,0,0,2)
28.53 3.1289 17.6 (2,-2,0,1)
28.81 3.0990 5.8 (2,0,-2,-1)
30.74 2.9089 34.5 (1,0,-1,2)
31.03 2.8821 32.2 (1,-1,0,2)
31.31 2.8570 47.2 (1,0,-1,-2)
32.79 2.7312 59.0 (2,1,-3,0)
32.82 2.7288 36.2 (3,-1,-2,0)
32.84 2.7273 35.5 (3,-2,-1,0)
35.25 2.5458 58.5 (1,1,-2,2)
35.47 2.5310 37.0 (2,1,-3,1)
35.53 2.5270 87.1 (2,-1,-1,2)
35.62 2.5204 91.1 (3,-1,-2,1)
35.77 2.5106 21.0 (3,-2,-1,1)
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Energy Properties

Formation Energy/atom
-0.59349
eV/atom
Energy/atom
-28.68446
eV/atom
Energy above Hull
0.0070
eV/atom
Uncorrected Energy
-28.6845
eV/atom
Volume/atom
23.67
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.2602
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000690
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.675
Family
Binary Alloy
Matrix Element
Lu · 0.625

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1094132
Reference Citation

The crystal structure and related material properties of Lu5Ga3 were obtained from the Materials Project database (MP-ID: mp-1094132, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Lu5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33488801
_cell_length_b   8.33488801
_cell_length_c   6.29016001
_cell_angle_alpha   89.18434691
_cell_angle_beta   89.18434691
_cell_angle_gamma   119.89831087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu5Ga3
_chemical_formula_sum   'Lu10 Ga6'
_cell_volume   378.66958197
_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  0.50413799  0.74577896  0.26319724  1.0
  Lu  Lu1  1  0.49586201  0.25422104  0.73680276  1.0
  Lu  Lu2  1  0.25422104  0.49586201  0.73680276  1.0
  Lu  Lu3  1  0.74577896  0.50413799  0.26319724  1.0
  Lu  Lu4  1  0.26796112  0.26796112  0.22806693  1.0
  Lu  Lu5  1  0.73203888  0.73203888  0.77193307  1.0
  Lu  Lu6  1  0.85147234  0.14852766  0.50000000  1.0
  Lu  Lu7  1  0.14852766  0.85147234  0.50000000  1.0
  Lu  Lu8  1  0.81593543  0.18406457  -0.00000000  1.0
  Lu  Lu9  1  0.18406457  0.81593543  -0.00000000  1.0
  Ga  Ga10  1  0.50120259  0.09795261  0.28625499  1.0
  Ga  Ga11  1  0.49879741  0.90204739  0.71374501  1.0
  Ga  Ga12  1  0.90204739  0.49879741  0.71374501  1.0
  Ga  Ga13  1  0.09795261  0.50120259  0.28625499  1.0
  Ga  Ga14  1  0.90867496  0.90867496  0.18978615  1.0
  Ga  Ga15  1  0.09132504  0.09132504  0.81021385  1.0
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