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LuS

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-656 · Space group: Fm-3m (#225)

Basic Information

Formula
LuS
MP-ID
mp-656
Elements
2
Sites
2
Density
8.9680
g/cm³
Volume
38.33
ų
Cell a
3.7847
Å
Cell b
3.7847
Å
Cell c
3.7847
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
28.89 3.0902 44.2 (0,1,0)
28.89 3.0902 44.2 (1,1,1)
33.48 2.6762 100.0 (1,1,0)
48.08 1.8924 11.9 (0,1,-1)
48.08 1.8924 47.8 (1,2,1)
48.08 1.8924 11.9 (2,1,1)
57.07 1.6138 10.6 (1,-1,1)
57.07 1.6138 10.6 (1,1,-1)
57.07 1.6138 17.7 (2,2,1)
57.07 1.6138 3.5 (2,1,0)
59.86 1.5451 12.4 (0,2,0)
59.86 1.5451 12.4 (2,2,2)
70.36 1.3381 11.5 (2,2,0)
77.78 1.2279 2.9 (0,2,-1)
77.78 1.2279 4.3 (1,-2,0)
77.78 1.2279 1.4 (1,0,-2)
77.78 1.2279 5.8 (2,3,2)
77.78 1.2279 2.9 (3,2,2)
80.20 1.1968 5.4 (1,2,-1)
80.20 1.1968 21.5 (2,3,1)
80.20 1.1968 5.4 (3,2,1)
89.76 1.0926 4.3 (1,-2,1)
89.76 1.0926 6.4 (1,0,3)
89.76 1.0926 2.1 (0,1,3)
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Energy Properties

Formation Energy/atom
-2.10851
eV/atom
Energy/atom
-25.16547
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.1655
eV/atom
Volume/atom
19.17
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
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
104.585
GPa
GVRH
42.384
GPa
Young's Modulus E
112.020
GPa
Poisson Ratio ν
0.321
Pugh Ratio K/G
2.468
Vickers Hardness Est.
3.223
GPa
Ductility
Brittle
Anisotropy
4.742
Lame λ
76.329
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.544
Family
Binary Alloy
Matrix Element
Lu · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.7420
Homogeneous Poisson ν
0.3210
Debye Temperature
504.3
K
Sound Velocity
2,435.0
m/s
Homogeneity
0.3210

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-656
Reference Citation

The crystal structure and related material properties of LuS were obtained from the Materials Project database (MP-ID: mp-656, 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_LuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78473832
_cell_length_b   3.78473953
_cell_length_c   3.78473948
_cell_angle_alpha   60.00001847
_cell_angle_beta   60.00000787
_cell_angle_gamma   60.00001055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuS
_chemical_formula_sum   'Lu1 S1'
_cell_volume   38.33477936
_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  0.00000000  0.00000000  -0.00000000  1.0
  S  S1  1  0.50000000  0.50000000  0.50000000  1.0
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