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CeSiO4

Elasticity Data ELA

MP-ID: mp-10523 · Space group: I4_1/amd (#141)

Basic Information

Formula
CeSiO4
MP-ID
mp-10523
Elements
3
Sites
12
Density
4.9368
g/cm³
Volume
156.20
ų
Cell a
5.8936
Å
Cell b
5.8936
Å
Cell c
5.8936
Å
α Angle
106.48
°
β Angle
106.48
°
γ Angle
115.63
°
Space Group
I4_1/amd
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
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
18.92 4.6898 61.1 (1,0,0)
25.25 3.5271 100.0 (1,-1,1)
31.74 2.8189 22.2 (1,0,1)
33.74 2.6568 65.9 (1,1,0)
36.01 2.4940 18.9 (0,0,2)
38.39 2.3449 4.0 (2,0,0)
40.99 2.2020 22.6 (2,-1,1)
45.19 2.0063 15.2 (2,1,-1)
48.75 1.8679 20.6 (1,0,2)
50.17 1.8184 56.6 (2,0,1)
51.84 1.7636 15.0 (2,-2,2)
52.47 1.7439 8.8 (2,1,0)
55.68 1.6507 5.8 (2,-1,2)
58.52 1.5774 12.1 (1,-1,3)
58.84 1.5695 2.9 (2,2,-2)
59.10 1.5633 3.7 (3,0,0)
63.29 1.4693 17.1 (1,1,2)
65.04 1.4340 11.1 (3,1,-1)
65.29 1.4292 2.1 (2,1,1)
68.12 1.3765 9.0 (1,0,3)
70.95 1.3284 10.6 (2,2,0)
71.19 1.3246 4.3 (3,0,1)
73.91 1.2823 1.8 (2,-1,3)
75.03 1.2660 12.8 (3,-1,2)
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Energy Properties

Formation Energy/atom
-3.56359
eV/atom
Energy/atom
-8.75595
eV/atom
Energy above Hull
0.0364
eV/atom
Uncorrected Energy
-8.2980
eV/atom
Volume/atom
13.02
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
1.503
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
148.899
GPa
GVRH
56.926
GPa
Young's Modulus E
151.474
GPa
Poisson Ratio ν
0.330
Pugh Ratio K/G
2.616
Vickers Hardness Est.
3.907
GPa
Ductility
Brittle
Anisotropy
2.143
Lame λ
110.948
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.167

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.1430
Homogeneous Poisson ν
0.3300
Debye Temperature
536.5
K
Sound Velocity
3,807.9
m/s
Homogeneity
0.3300

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10523
Reference Citation

The crystal structure and related material properties of CeSiO4 were obtained from the Materials Project database (MP-ID: mp-10523, 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_CeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89359974
_cell_length_b   5.89359974
_cell_length_c   5.89359974
_cell_angle_alpha   106.48031182
_cell_angle_beta   106.48031182
_cell_angle_gamma   115.63447404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSiO4
_chemical_formula_sum   'Ce2 Si2 O8'
_cell_volume   156.20476467
_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
  Ce  Ce0  1  0.50000000  0.50000000  0.00000000  1.0
  Ce  Ce1  1  0.75000000  0.25000000  0.50000000  1.0
  Si  Si2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.25000000  0.75000000  0.50000000  1.0
  O  O4  1  0.83081500  0.65203200  0.82121600  1.0
  O  O5  1  0.25959900  0.58081500  0.67878400  1.0
  O  O6  1  0.90203200  0.58081500  0.32121600  1.0
  O  O7  1  0.83081500  0.00959900  0.17878400  1.0
  O  O8  1  0.99040100  0.16918500  0.82121600  1.0
  O  O9  1  0.41918500  0.09796800  0.67878400  1.0
  O  O10  1  0.41918500  0.74040100  0.32121600  1.0
  O  O11  1  0.34796800  0.16918500  0.17878400  1.0
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