ErCd2
Traditional Materials TRAMP-ID: mp-11296 · Space group: P6/mmm (#191)
Basic Information
Formula
ErCd2
MP-ID
mp-11296
Elements
2
Sites
3
Density
9.1477
g/cm³
Volume
71.17
ų
Cell a
4.8852
Å
Cell b
4.8852
Å
Cell c
3.4437
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.00 | 4.2307 | 5.0 | (1,0,-1,0) |
| 25.87 | 3.4437 | 1.8 | (0,0,0,1) |
| 33.55 | 2.6708 | 100.0 | (1,0,-1,1) |
| 36.80 | 2.4426 | 77.4 | (2,-1,-1,0) |
| 45.53 | 1.9923 | 2.1 | (2,-1,-1,1) |
| 50.64 | 1.8025 | 30.9 | (2,0,-2,1) |
| 53.20 | 1.7218 | 8.7 | (0,0,0,2) |
| 64.22 | 1.4503 | 29.9 | (3,-1,-2,1) |
| 66.28 | 1.4102 | 13.3 | (3,0,-3,0) |
| 66.43 | 1.4073 | 26.4 | (2,-1,-1,2) |
| 78.28 | 1.2213 | 8.3 | (4,-2,-2,0) |
| 87.91 | 1.1107 | 4.3 | (4,-1,-3,1) |
| 87.91 | 1.1107 | 8.7 | (3,1,-4,1) |
| 88.20 | 1.1078 | 6.5 | (1,0,-1,3) |
| 89.92 | 1.0910 | 12.2 | (3,0,-3,2) |
Energy Properties
Formation Energy/atom
-0.26863
eV/atom
Energy/atom
-2.43121
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.0573
eV/atom
Volume/atom
23.72
ų
c/a Ratio
0.7049
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
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-11296
Reference Citation
The crystal structure and related material properties of ErCd2 were obtained from the Materials Project database (MP-ID: mp-11296, 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_ErCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88519700
_cell_length_b 4.88519686
_cell_length_c 3.44365696
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000096
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErCd2
_chemical_formula_sum 'Er1 Cd2'
_cell_volume 71.17289985
_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
Er Er0 1 -0.00000000 -0.00000000 0.00000000 1.0
Cd Cd1 1 0.33333300 0.66666700 0.50000000 1.0
Cd Cd2 1 0.66666700 0.33333300 0.50000000 1.0
