Ce2Mg
传统材料 TRAMP-ID: mp-1039008 · Space group: C2/m (#12)
Basic Information
Formula
Ce2Mg
MP-ID
mp-1039008
Elements
2
Sites
6
Density
6.8131
g/cm³
Volume
148.45
ų
Cell a
5.4499
Å
Cell b
5.4499
Å
Cell c
9.6118
Å
α Angle
69.23
°
β Angle
69.23
°
γ Angle
34.05
°
Space Group
C2/m
Point Group
2/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 |
|---|---|---|---|
| 9.91 | 8.9266 | 100.0 | (0,0,1) |
| 18.33 | 4.8396 | 1.5 | (1,1,0) |
| 19.89 | 4.4633 | 12.2 | (0,0,2) |
| 21.50 | 4.1323 | 3.5 | (1,1,2) |
| 23.95 | 3.7162 | 4.4 | (1,1,-1) |
| 28.81 | 3.0987 | 2.6 | (1,1,3) |
| 29.47 | 3.0308 | 6.8 | (1,0,0) |
| 30.02 | 2.9770 | 9.8 | (1,0,1) |
| 30.03 | 2.9755 | 17.3 | (0,0,3) |
| 31.92 | 2.8036 | 33.6 | (1,1,-2) |
| 32.28 | 2.7735 | 9.0 | (1,0,-1) |
| 33.76 | 2.6547 | 80.7 | (1,0,2) |
| 34.62 | 2.5907 | 3.9 | (2,2,1) |
| 35.02 | 2.5623 | 38.6 | (2,2,2) |
| 37.16 | 2.4198 | 4.4 | (2,2,0) |
| 37.61 | 2.3917 | 23.8 | (1,1,4) |
| 38.26 | 2.3522 | 5.2 | (2,2,3) |
| 38.30 | 2.3501 | 6.1 | (2,1,1) |
| 39.59 | 2.2765 | 1.3 | (2,1,2) |
| 39.73 | 2.2689 | 48.7 | (2,1,0) |
| 39.92 | 2.2584 | 10.0 | (1,0,3) |
| 41.08 | 2.1972 | 3.6 | (1,1,-3) |
| 42.16 | 2.1434 | 8.7 | (2,2,-1) |
| 43.39 | 2.0853 | 2.1 | (2,1,3) |
Energy Properties
Formation Energy/atom
0.02580
eV/atom
Energy/atom
-21.92438
eV/atom
Energy above Hull
0.0501
eV/atom
Uncorrected Energy
-21.9244
eV/atom
Volume/atom
24.74
ų
c/a Ratio
1.7637
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0005
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.669
Family
Binary Alloy
Matrix Element
Ce · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039008
Reference Citation
The crystal structure and related material properties of Ce2Mg were obtained from the Materials Project database (MP-ID: mp-1039008, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Ce2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44988797
_cell_length_b 5.44988797
_cell_length_c 9.61175360
_cell_angle_alpha 69.23465383
_cell_angle_beta 69.23465383
_cell_angle_gamma 34.04929057
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2Mg
_chemical_formula_sum 'Ce4 Mg2'
_cell_volume 148.44860252
_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 0.31181062 0.31181062 0.11117905 1.0
Ce Ce1 1 0.01727158 0.01727158 0.21616903 1.0
Ce Ce2 1 0.98272842 0.98272842 0.78383097 1.0
Ce Ce3 1 0.68818938 0.68818938 0.88882095 1.0
Mg Mg4 1 0.65683183 0.65683183 0.44179492 1.0
Mg Mg5 1 0.34316817 0.34316817 0.55820508 1.0
