TmCd2
Traditional Materials TRAMP-ID: mp-11311 · Space group: P6/mmm (#191)
Basic Information
Formula
TmCd2
MP-ID
mp-11311
Elements
2
Sites
3
Density
9.2800
g/cm³
Volume
70.46
ų
Cell a
4.8771
Å
Cell b
4.8771
Å
Cell c
3.4204
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.03 | 4.2237 | 2.3 | (1,-1,0,0) |
| 21.03 | 4.2237 | 4.7 | (1,0,-1,0) |
| 26.05 | 3.4204 | 2.1 | (0,0,0,1) |
| 33.72 | 2.6581 | 43.0 | (1,-1,0,1) |
| 33.72 | 2.6581 | 85.9 | (1,0,-1,1) |
| 36.86 | 2.4385 | 100.0 | (2,-1,-1,0) |
| 42.82 | 2.1118 | 1.2 | (2,0,-2,0) |
| 45.69 | 1.9856 | 1.6 | (2,-1,-1,1) |
| 50.81 | 1.7969 | 13.3 | (2,-2,0,1) |
| 50.81 | 1.7969 | 26.7 | (2,0,-2,1) |
| 53.59 | 1.7102 | 11.1 | (0,0,0,2) |
| 57.75 | 1.5964 | 1.1 | (3,-1,-2,0) |
| 58.20 | 1.5852 | 1.1 | (1,0,-1,2) |
| 64.41 | 1.4466 | 38.8 | (3,-1,-2,1) |
| 66.40 | 1.4079 | 17.2 | (3,0,-3,0) |
| 66.81 | 1.4002 | 33.8 | (2,-1,-1,2) |
| 78.44 | 1.2193 | 7.1 | (4,-2,-2,0) |
| 78.44 | 1.2193 | 3.6 | (2,2,-4,0) |
| 88.15 | 1.1082 | 11.3 | (4,-1,-3,1) |
| 88.15 | 1.1082 | 5.7 | (3,1,-4,1) |
| 88.91 | 1.1007 | 8.4 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
-0.25606
eV/atom
Energy/atom
-2.39024
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4493
eV/atom
Volume/atom
23.49
ų
c/a Ratio
0.7013
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0043
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Cd · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11311
Reference Citation
The crystal structure and related material properties of TmCd2 were obtained from the Materials Project database (MP-ID: mp-11311, 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_TmCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87707479
_cell_length_b 4.87707482
_cell_length_c 3.42043270
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000663
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmCd2
_chemical_formula_sum 'Tm1 Cd2'
_cell_volume 70.45802841
_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
Tm Tm0 1 0.00000000 0.00000000 -0.00000000 1.0
Cd Cd1 1 0.33333300 0.66666700 0.49982530 1.0
Cd Cd2 1 0.66666700 0.33333300 0.50017470 1.0
