CeMg5
Traditional Materials TRAMP-ID: mp-1039088 · Space group: Cm (#8)
Basic Information
Formula
CeMg5
MP-ID
mp-1039088
Elements
2
Sites
6
Density
2.8781
g/cm³
Volume
150.96
ų
Cell a
6.6311
Å
Cell b
6.6311
Å
Cell c
7.7207
Å
α Angle
75.88
°
β Angle
75.88
°
γ Angle
27.35
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.84 | 7.4734 | 100.0 | (0,0,1) |
| 14.20 | 6.2368 | 66.6 | (1,1,0) |
| 16.06 | 5.5182 | 56.2 | (1,1,1) |
| 20.71 | 4.2880 | 33.9 | (1,1,-1) |
| 23.81 | 3.7367 | 25.3 | (0,0,2) |
| 24.51 | 3.6326 | 22.3 | (1,1,2) |
| 28.10 | 3.1751 | 15.7 | (2,2,1) |
| 28.63 | 3.1184 | 16.1 | (2,2,0) |
| 29.38 | 3.0405 | 27.9 | (1,0,0) |
| 30.83 | 2.9004 | 26.7 | (1,1,-2) |
| 31.07 | 2.8785 | 24.3 | (1,0,1) |
| 32.45 | 2.7591 | 57.4 | (2,2,2) |
| 32.46 | 2.7580 | 42.8 | (1,0,-1) |
| 33.81 | 2.6511 | 39.5 | (2,2,-1) |
| 35.28 | 2.5439 | 8.7 | (1,1,3) |
| 35.87 | 2.5032 | 70.5 | (2,1,0) |
| 36.05 | 2.4911 | 33.1 | (0,0,3) |
| 36.08 | 2.4896 | 14.7 | (2,1,1) |
| 36.96 | 2.4324 | 65.0 | (1,0,2) |
| 39.33 | 2.2908 | 11.3 | (1,0,-2) |
| 39.66 | 2.2724 | 10.4 | (2,1,-1) |
| 40.22 | 2.2423 | 10.6 | (2,1,2) |
| 40.27 | 2.2398 | 4.7 | (2,2,3) |
| 42.09 | 2.1469 | 5.6 | (3,3,1) |
Energy Properties
Formation Energy/atom
0.02796
eV/atom
Energy/atom
-8.58656
eV/atom
Energy above Hull
0.0733
eV/atom
Uncorrected Energy
-2.2680
eV/atom
Volume/atom
25.16
ų
c/a Ratio
1.1643
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.4004
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.009280
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.873
Family
Mg-based Alloy
Matrix Element
Mg · 0.833
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039088
Reference Citation
The crystal structure and related material properties of CeMg5 were obtained from the Materials Project database (MP-ID: mp-1039088, 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_CeMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63109769
_cell_length_b 6.63109769
_cell_length_c 7.72065944
_cell_angle_alpha 75.88056663
_cell_angle_beta 75.88056663
_cell_angle_gamma 27.34683978
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg5
_chemical_formula_sum 'Ce1 Mg5'
_cell_volume 150.95798154
_cell_formula_units_Z 1
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 0.61249200 0.61249200 0.27412700 1.0
Mg Mg1 1 0.99438400 0.99438400 0.99460900 1.0
Mg Mg2 1 0.33751700 0.33751700 0.33642600 1.0
Mg Mg3 1 0.93956700 0.93956700 0.62034800 1.0
Mg Mg4 1 0.66635200 0.66635200 0.67193200 1.0
Mg Mg5 1 0.28302200 0.28302200 0.93589100 1.0
