CeMg2
传统材料 TRAMP-ID: mp-1038955 · Space group: C2/m (#12)
Basic Information
Formula
CeMg2
MP-ID
mp-1038955
Elements
2
Sites
6
Density
4.1025
g/cm³
Volume
152.78
ų
Cell a
6.8185
Å
Cell b
6.8185
Å
Cell c
7.4354
Å
α Angle
77.38
°
β Angle
77.38
°
γ Angle
26.97
°
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 |
|---|---|---|---|
| 12.22 | 7.2453 | 26.0 | (0,0,1) |
| 13.71 | 6.4610 | 100.0 | (1,1,0) |
| 16.20 | 5.4712 | 7.2 | (1,1,1) |
| 20.37 | 4.3601 | 16.9 | (1,1,-1) |
| 24.57 | 3.6227 | 13.2 | (0,0,2) |
| 25.34 | 3.5145 | 16.7 | (1,1,2) |
| 27.61 | 3.2305 | 26.5 | (2,2,0) |
| 28.91 | 3.0881 | 42.5 | (1,0,0) |
| 30.86 | 2.8975 | 4.5 | (1,0,1) |
| 30.89 | 2.8946 | 12.6 | (1,1,-2) |
| 32.11 | 2.7874 | 20.9 | (1,0,-1) |
| 32.74 | 2.7356 | 33.6 | (2,2,2) |
| 32.79 | 2.7311 | 21.8 | (2,2,-1) |
| 35.07 | 2.5585 | 59.0 | (2,1,0) |
| 35.62 | 2.5204 | 1.2 | (2,1,1) |
| 36.68 | 2.4499 | 9.4 | (1,1,3) |
| 37.23 | 2.4151 | 24.9 | (0,0,3) |
| 37.23 | 2.4150 | 33.7 | (1,0,2) |
| 38.86 | 2.3174 | 5.0 | (2,1,-1) |
| 39.34 | 2.2902 | 5.2 | (1,0,-2) |
| 40.35 | 2.2351 | 9.0 | (2,1,2) |
| 41.34 | 2.1838 | 6.6 | (2,2,3) |
| 41.42 | 2.1801 | 1.2 | (2,2,-2) |
| 41.95 | 2.1537 | 11.5 | (3,3,0) |
Energy Properties
Formation Energy/atom
-0.01838
eV/atom
Energy/atom
-13.07812
eV/atom
Energy above Hull
0.0301
eV/atom
Uncorrected Energy
-13.0781
eV/atom
Volume/atom
25.46
ų
c/a Ratio
1.0905
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0288
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.013280
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.892
Family
Mg-based Alloy
Matrix Element
Mg · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1038955
Reference Citation
The crystal structure and related material properties of CeMg2 were obtained from the Materials Project database (MP-ID: mp-1038955, 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_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81848157
_cell_length_b 6.81848157
_cell_length_c 7.43535479
_cell_angle_alpha 77.38229800
_cell_angle_beta 77.38229800
_cell_angle_gamma 26.97221415
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg2
_chemical_formula_sum 'Ce2 Mg4'
_cell_volume 152.77990706
_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 0.51388143 0.51388143 0.68262809 1.0
Ce Ce1 1 0.48611857 0.48611857 0.31737191 1.0
Mg Mg2 1 0.79229362 0.79229362 0.64508743 1.0
Mg Mg3 1 0.15098140 0.15098140 0.96551972 1.0
Mg Mg4 1 0.84901860 0.84901860 0.03448028 1.0
Mg Mg5 1 0.20770638 0.20770638 0.35491257 1.0
