LuCd2
传统材料 TRAMP-ID: mp-1008910 · Space group: P-3m1 (#164)
Basic Information
Formula
LuCd2
MP-ID
mp-1008910
Elements
2
Sites
3
Density
8.2253
g/cm³
Volume
80.71
ų
Cell a
5.3821
Å
Cell b
5.3821
Å
Cell c
3.2173
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.04 | 4.6610 | 7.9 | (1,0,-1,0) |
| 27.73 | 3.2173 | 51.2 | (0,0,0,1) |
| 33.29 | 2.6911 | 100.0 | (2,-1,-1,0) |
| 33.85 | 2.6478 | 8.5 | (1,0,-1,1) |
| 38.63 | 2.3305 | 1.4 | (2,0,-2,0) |
| 43.86 | 2.0642 | 88.0 | (2,-1,-1,1) |
| 48.22 | 1.8874 | 3.3 | (2,0,-2,1) |
| 51.90 | 1.7617 | 1.3 | (3,-1,-2,0) |
| 57.27 | 1.6087 | 5.6 | (0,0,0,2) |
| 59.50 | 1.5537 | 18.3 | (3,0,-3,0) |
| 59.86 | 1.5452 | 3.5 | (3,-1,-2,1) |
| 60.92 | 1.5207 | 3.9 | (1,0,-1,2) |
| 66.87 | 1.3991 | 24.4 | (3,0,-3,1) |
| 67.88 | 1.3808 | 20.1 | (2,-1,-1,2) |
| 69.91 | 1.3455 | 3.7 | (2,2,-4,0) |
| 69.91 | 1.3455 | 7.5 | (4,-2,-2,0) |
| 71.23 | 1.3239 | 2.4 | (2,0,-2,2) |
| 76.78 | 1.2413 | 16.4 | (4,-2,-2,1) |
| 79.98 | 1.1995 | 1.0 | (4,-1,-3,1) |
| 80.93 | 1.1879 | 3.5 | (3,-1,-2,2) |
| 87.23 | 1.1176 | 7.0 | (3,0,-3,2) |
| 87.23 | 1.1176 | 3.5 | (3,-3,0,2) |
Energy Properties
Formation Energy/atom
0.09073
eV/atom
Energy/atom
-26.00588
eV/atom
Energy above Hull
0.4046
eV/atom
Uncorrected Energy
-1.9809
eV/atom
Volume/atom
26.90
ų
c/a Ratio
0.5978
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.423
Family
Binary Alloy
Matrix Element
Cd · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008910
Reference Citation
The crystal structure and related material properties of LuCd2 were obtained from the Materials Project database (MP-ID: mp-1008910, 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_LuCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38209166
_cell_length_b 5.38209166
_cell_length_c 3.21733600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999577
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuCd2
_chemical_formula_sum 'Lu1 Cd2'
_cell_volume 80.71035314
_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
Lu Lu0 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd1 1 0.66666700 0.33333300 0.95335900 1.0
Cd Cd2 1 0.33333300 0.66666700 0.04664100 1.0
