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Ce

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-64 · Space group: Cmcm (#63)

Basic Information

Formula
Ce
MP-ID
mp-64
Elements
1
Sites
2
Density
9.1672
g/cm³
Volume
50.76
ų
Cell a
3.4650
Å
Cell b
3.4650
Å
Cell c
5.2210
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
125.92
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic 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
28.93 3.0863 10.2 (1,-1,0)
31.89 2.8059 88.9 (1,0,0)
33.74 2.6568 100.0 (1,-1,1)
34.35 2.6105 54.1 (0,0,2)
36.35 2.4716 60.6 (1,0,1)
45.51 1.9931 5.9 (1,-1,2)
47.58 1.9113 58.2 (1,0,2)
53.17 1.7227 2.0 (2,-1,0)
56.23 1.6359 49.1 (2,-1,1)
58.61 1.5751 11.6 (1,1,0)
59.94 1.5432 6.2 (2,-2,0)
61.13 1.5159 17.9 (1,-1,3)
62.79 1.4799 7.9 (2,-2,1)
62.83 1.4790 12.2 (1,0,3)
64.85 1.4378 2.2 (2,-1,2)
66.66 1.4030 1.9 (2,0,0)
69.36 1.3549 24.5 (2,0,1)
69.73 1.3486 13.7 (1,1,2)
70.95 1.3284 7.5 (2,-2,2)
72.40 1.3053 6.1 (0,0,4)
77.19 1.2358 2.5 (2,0,2)
78.05 1.2243 18.7 (2,-1,3)
79.77 1.2022 1.1 (1,-1,4)
81.30 1.1835 12.1 (1,0,4)
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Energy Properties

Formation Energy/atom
0.03472
eV/atom
Energy/atom
-30.80591
eV/atom
Energy above Hull
0.0347
eV/atom
Uncorrected Energy
-30.8059
eV/atom
Volume/atom
25.38
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
0.3310
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.006520
μB/ų

Elastic Properties

KVRH
44.169
GPa
GVRH
32.576
GPa
Young's Modulus E
78.443
GPa
Poisson Ratio ν
0.204
Pugh Ratio K/G
1.356
Vickers Hardness Est.
7.749
GPa
Ductility
Ductile
Anisotropy
0.402
Lame λ
22.452
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.550
Family
Pure Metal
Matrix Element
Ce · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4020
Homogeneous Poisson ν
0.2040
Debye Temperature
210.9
K
Sound Velocity
2,082.0
m/s
Homogeneity
0.2040

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-64
Reference Citation

The crystal structure and related material properties of Ce were obtained from the Materials Project database (MP-ID: mp-64, database version v2026.09.28).

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_Ce
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46499582
_cell_length_b   3.46499582
_cell_length_c   5.22098210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92428753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce
_chemical_formula_sum   Ce2
_cell_volume   50.76117369
_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  0.90314672  0.09685328  0.75000000  1.0
  Ce  Ce1  1  0.09685328  0.90314672  0.25000000  1.0
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