Ce

传统材料 TRA 弹性数据 ELA

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

Materials Project API

Basic Information

Formula

MP-ID

mp-64

Elements

Sites

Density

9.1672

g/cm³

Volume

50.76

Å³

Cell a

3.4650

Cell b

3.4650

Cell c

5.2210

α Angle

90.00

β Angle

90.00

γ Angle

125.92

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
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

Å³

c/a Ratio

1.5068

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3310

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006520

μB/Å³

Elastic Properties

K_VRH

44.169

GPa

G_VRH

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 1.000

Element Family

Lanthanide

Solute Fraction

0.000

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4020

Homogeneous Poisson ν

0.2040

Debye Temperature

210.9

Sound Velocity

2,082.0

m/s

Homogeneity

0.2040

Related Tasks

Related computation task IDs (5)

aaadmlgq aaadryvy aaaeuprb aaafssll aaafzwcy

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 v2026.04.13).

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

3D Crystal Structure Rendering

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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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