CeCd11

Traditional Materials TRA

MP-ID: mp-640089 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

CeCd11

MP-ID

mp-640089

Elements

Sites

Density

8.3497

g/cm³

Volume

821.34

Å³

Cell a

9.3684

Cell b

9.3635

Cell c

9.3630

α Angle

89.98

β Angle

89.99

γ Angle

89.98

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

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
9.44	9.3684	3.1	(1,0,0)
9.45	9.3635	3.3	(0,1,0)
9.45	9.3630	3.3	(0,0,1)
18.95	4.6842	2.3	(2,0,0)
18.96	4.6818	2.3	(0,2,0)
18.96	4.6815	2.3	(0,0,2)
28.58	3.1228	3.2	(3,0,0)
28.60	3.1212	3.3	(0,3,0)
28.60	3.1210	3.3	(0,0,3)
30.17	2.9627	15.5	(3,1,0)
30.17	2.9626	15.5	(3,0,1)
30.17	2.9622	15.5	(3,0,-1)
30.17	2.9621	15.5	(3,-1,0)
30.18	2.9615	15.7	(1,3,0)
30.18	2.9613	15.6	(0,3,1)
30.18	2.9612	15.7	(1,0,3)
30.18	2.9612	15.6	(0,1,3)
30.18	2.9609	15.7	(1,-3,0)
30.18	2.9609	15.7	(1,0,-3)
30.19	2.9607	15.6	(0,3,-1)
30.19	2.9606	15.7	(0,1,-3)
31.67	2.8249	37.4	(3,1,1)
31.68	2.8244	37.4	(3,1,-1)
31.68	2.8242	37.5	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.17908

eV/atom

Energy/atom

-21.17871

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.1787

eV/atom

Volume/atom

22.81

Å³

c/a Ratio

0.9994

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.1861

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003880

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.917

Element Family

N/A

Solute Fraction

0.083

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.683

Family

Binary Alloy

Matrix Element

Cd · 0.917

Related Tasks

Related computation task IDs (3)

aaacbaww aaadrsrd aaagjchi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-640089

Reference Citation

The crystal structure and related material properties of CeCd11 were obtained from the Materials Project database (MP-ID: mp-640089, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_CeCd11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36839263
_cell_length_b   9.36353249
_cell_length_c   9.36304288
_cell_angle_alpha   89.97980357
_cell_angle_beta   89.98881074
_cell_angle_gamma   89.98087682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCd11
_chemical_formula_sum   'Ce3 Cd33'
_cell_volume   821.33770103
_cell_formula_units_Z   3
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  -0.00000000  -0.00000000  1.0
  Ce  Ce1  1  -0.00000000  -0.00000000  0.50000000  1.0
  Ce  Ce2  1  -0.00000000  0.50000000  -0.00000000  1.0
  Cd  Cd3  1  0.00006292  0.34513956  0.34520688  1.0
  Cd  Cd4  1  0.26616212  0.26621839  0.50001336  1.0
  Cd  Cd5  1  0.15739726  0.15741998  0.84257164  1.0
  Cd  Cd6  1  0.84254804  0.15745280  0.84263976  1.0
  Cd  Cd7  1  0.49998832  0.26664255  0.26661007  1.0
  Cd  Cd8  1  0.65478643  0.65474024  0.99995958  1.0
  Cd  Cd9  1  0.34521357  0.34525976  0.00004042  1.0
  Cd  Cd10  1  0.34518205  0.65465318  0.00000228  1.0
  Cd  Cd11  1  0.00005258  0.34513329  0.65478380  1.0
  Cd  Cd12  1  0.84251335  0.84262313  0.84251740  1.0
  Cd  Cd13  1  0.65481795  0.34534682  0.99999772  1.0
  Cd  Cd14  1  0.65480715  0.00002279  0.65482269  1.0
  Cd  Cd15  1  0.65486838  0.99999002  0.34528167  1.0
  Cd  Cd16  1  0.73399953  0.26610205  0.49994823  1.0
  Cd  Cd17  1  0.26621400  0.49998379  0.73374755  1.0
  Cd  Cd18  1  0.99993708  0.65486044  0.65479312  1.0
  Cd  Cd19  1  0.34519285  0.99997721  0.34517731  1.0
  Cd  Cd20  1  0.15745196  0.84254720  0.15736024  1.0
  Cd  Cd21  1  0.50001168  0.73335745  0.73338993  1.0
  Cd  Cd22  1  0.50000000  0.50000000  0.50000000  1.0
  Cd  Cd23  1  0.84260274  0.84258002  0.15742836  1.0
  Cd  Cd24  1  0.49996837  0.73344561  0.26652087  1.0
  Cd  Cd25  1  0.99994742  0.65486671  0.34521620  1.0
  Cd  Cd26  1  0.73379923  0.49995992  0.73373574  1.0
  Cd  Cd27  1  0.26620077  0.50004008  0.26626426  1.0
  Cd  Cd28  1  0.50003163  0.26655439  0.73347913  1.0
  Cd  Cd29  1  0.84271760  0.15743994  0.15763689  1.0
  Cd  Cd30  1  0.15728240  0.84256006  0.84236311  1.0
  Cd  Cd31  1  0.26600047  0.73389795  0.50005177  1.0
  Cd  Cd32  1  0.34513162  0.00000998  0.65471833  1.0
  Cd  Cd33  1  0.73383788  0.73378161  0.49998664  1.0
  Cd  Cd34  1  0.73378600  0.50001621  0.26625245  1.0
  Cd  Cd35  1  0.15748665  0.15737687  0.15748260  1.0

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