CePm3

Traditional Materials TRA

MP-ID: mp-1183863 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CePm3

MP-ID

mp-1183863

Elements

Sites

Density

6.8444

g/cm³

Volume

279.06

Å³

Cell a

7.3389

Cell b

7.3389

Cell c

5.9829

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
28.08	3.1778	34.8	(2,0,-2,0)
29.87	2.9915	39.6	(0,0,0,2)
31.89	2.8065	50.0	(2,-2,0,1)
31.89	2.8065	100.0	(2,0,-2,1)
41.46	2.1782	24.4	(2,0,-2,2)
49.69	1.8347	28.9	(4,-2,-2,0)
54.31	1.6892	33.3	(2,0,-2,3)
58.05	1.5889	4.5	(4,0,-4,0)
59.07	1.5640	34.4	(4,-2,-2,2)
60.27	1.5357	24.3	(4,0,-4,1)
62.05	1.4957	4.9	(0,0,0,4)
66.65	1.4033	6.0	(4,0,-4,2)
69.45	1.3533	5.3	(2,0,-2,4)
76.68	1.2427	12.0	(4,0,-4,3)
79.86	1.2011	3.6	(6,-2,-4,0)
81.79	1.1776	20.4	(6,-2,-4,1)
83.36	1.1593	13.0	(4,-2,-2,4)
87.01	1.1198	8.9	(2,0,-2,5)
87.52	1.1146	5.9	(6,-2,-4,2)

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Energy Properties

Formation Energy/atom

0.09428

eV/atom

Energy/atom

-29.77133

eV/atom

Energy above Hull

0.0943

eV/atom

Uncorrected Energy

-4.9519

eV/atom

Volume/atom

34.88

Å³

c/a Ratio

0.8152

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6567

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.009520

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pm · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.659

Family

Binary Alloy

Matrix Element

Pm · 0.750

Related Tasks

Related computation task IDs (2)

aaadvevo aaaecjvf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183863

Reference Citation

The crystal structure and related material properties of CePm3 were obtained from the Materials Project database (MP-ID: mp-1183863, 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_CePm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33884817
_cell_length_b   7.33884817
_cell_length_c   5.98292100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePm3
_chemical_formula_sum   'Ce2 Pm6'
_cell_volume   279.06135534
_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  0.33333300  0.66666700  0.75000000  1.0
  Ce  Ce1  1  0.66666700  0.33333300  0.25000000  1.0
  Pm  Pm2  1  0.16687700  0.33375400  0.25000000  1.0
  Pm  Pm3  1  0.66624600  0.83312300  0.25000000  1.0
  Pm  Pm4  1  0.16687700  0.83312300  0.25000000  1.0
  Pm  Pm5  1  0.83312300  0.66624600  0.75000000  1.0
  Pm  Pm6  1  0.33375400  0.16687700  0.75000000  1.0
  Pm  Pm7  1  0.83312300  0.16687700  0.75000000  1.0

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