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ThSbRh

Elasticity Data ELA

MP-ID: mp-10623 · Space group: F-43m (#216)

Basic Information

Formula
ThSbRh
MP-ID
mp-10623
Elements
3
Sites
3
Density
10.0535
g/cm³
Volume
75.43
ų
Cell a
4.7427
Å
Cell b
4.7427
Å
Cell c
4.7427
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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
22.97 3.8724 12.8 (0,0,1)
22.97 3.8724 38.5 (1,0,0)
26.58 3.3536 70.2 (1,1,0)
37.94 2.3714 100.0 (1,1,2)
37.94 2.3714 100.0 (1,-1,0)
44.82 2.0223 15.8 (1,0,2)
44.82 2.0223 11.3 (2,1,0)
46.93 1.9362 5.2 (0,0,2)
46.93 1.9362 15.6 (2,0,0)
54.74 1.6768 34.7 (2,2,0)
60.13 1.5387 2.9 (1,1,3)
60.13 1.5387 2.9 (2,2,3)
60.13 1.5387 5.8 (2,-1,0)
61.86 1.4998 13.9 (2,1,-1)
61.86 1.4998 11.6 (3,2,1)
61.86 1.4998 2.3 (2,3,1)
68.54 1.3691 17.7 (1,0,3)
68.54 1.3691 11.8 (2,-1,-1)
68.54 1.3691 41.3 (3,3,2)
73.35 1.2908 1.6 (2,0,3)
73.35 1.2908 5.4 (2,-1,2)
73.35 1.2908 1.1 (0,3,0)
81.11 1.1857 3.7 (2,2,4)
81.11 1.1857 7.5 (2,0,-2)
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Energy Properties

Formation Energy/atom
-1.17800
eV/atom
Energy/atom
-42.28394
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.2839
eV/atom
Volume/atom
25.14
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.744
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
112.537
GPa
GVRH
42.792
GPa
Young's Modulus E
113.935
GPa
Poisson Ratio ν
0.331
Pugh Ratio K/G
2.630
Vickers Hardness Est.
2.808
GPa
Ductility
Brittle
Anisotropy
0.392
Lame λ
84.009
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Th · 0.333
Element Family
Actinide
Solute Fraction
0.667
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3920
Homogeneous Poisson ν
0.3310
Debye Temperature
297.8
K
Sound Velocity
2,313.8
m/s
Homogeneity
0.3310

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10623
Reference Citation

The crystal structure and related material properties of ThSbRh were obtained from the Materials Project database (MP-ID: mp-10623, 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_ThSbRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74270964
_cell_length_b   4.74270940
_cell_length_c   4.74271076
_cell_angle_alpha   60.00000488
_cell_angle_beta   60.00000656
_cell_angle_gamma   60.00000262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSbRh
_chemical_formula_sum   'Th1 Sb1 Rh1'
_cell_volume   75.43358354
_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
  Th  Th0  1  0.00000000  -0.00000000  0.00000000  1.0
  Sb  Sb1  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh2  1  0.25000000  0.25000000  0.25000000  1.0
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