ErCd2
Traditional Materials TRAMP-ID: mp-1062169 · Space group: C2/m (#12)
Basic Information
Formula
ErCd2
MP-ID
mp-1062169
Elements
2
Sites
3
Density
7.3683
g/cm³
Volume
88.36
ų
Cell a
5.6184
Å
Cell b
5.6184
Å
Cell c
3.2838
Å
α Angle
83.46
°
β Angle
83.46
°
γ Angle
59.30
°
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 |
|---|---|---|---|
| 18.33 | 4.8407 | 3.3 | (1,1,0) |
| 18.40 | 4.8206 | 5.8 | (1,0,0) |
| 27.40 | 3.2555 | 59.3 | (0,0,1) |
| 32.07 | 2.7909 | 100.0 | (2,1,0) |
| 32.16 | 2.7835 | 22.7 | (1,0,1) |
| 32.21 | 2.7794 | 49.4 | (1,-1,0) |
| 34.23 | 2.6198 | 1.1 | (1,0,-1) |
| 35.18 | 2.5510 | 9.2 | (1,1,-1) |
| 37.31 | 2.4103 | 1.2 | (2,0,0) |
| 40.10 | 2.2485 | 43.1 | (2,1,1) |
| 42.78 | 2.1138 | 35.4 | (1,-1,1) |
| 43.57 | 2.0771 | 4.8 | (2,2,1) |
| 45.12 | 2.0093 | 30.0 | (2,1,-1) |
| 48.43 | 1.8794 | 7.5 | (2,0,-1) |
| 55.21 | 1.6638 | 4.8 | (3,1,1) |
| 56.54 | 1.6277 | 3.5 | (0,0,2) |
| 57.08 | 1.6136 | 9.4 | (3,3,0) |
| 57.34 | 1.6069 | 18.5 | (3,0,0) |
| 57.40 | 1.6055 | 4.4 | (2,-1,1) |
| 58.67 | 1.5736 | 11.4 | (1,0,2) |
| 60.62 | 1.5276 | 6.3 | (3,3,1) |
| 61.12 | 1.5161 | 3.8 | (3,2,-1) |
| 62.54 | 1.4852 | 4.7 | (1,1,-2) |
| 62.74 | 1.4810 | 5.2 | (2,1,2) |
Energy Properties
Formation Energy/atom
0.14398
eV/atom
Energy/atom
-2.01860
eV/atom
Energy above Hull
0.4126
eV/atom
Uncorrected Energy
-2.0186
eV/atom
Volume/atom
29.45
ų
c/a Ratio
0.5845
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0029
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
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
0.423
Family
Binary Alloy
Matrix Element
Cd · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1062169
Reference Citation
The crystal structure and related material properties of ErCd2 were obtained from the Materials Project database (MP-ID: mp-1062169, 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 5.61842414
_cell_length_b 5.61842414
_cell_length_c 3.28380145
_cell_angle_alpha 83.45910607
_cell_angle_beta 83.45910607
_cell_angle_gamma 59.29784133
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErCd2
_chemical_formula_sum 'Er1 Cd2'
_cell_volume 88.36026313
_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 0.66600500 0.66600500 0.10053600 1.0
Cd Cd2 1 0.33399500 0.33399500 0.89946400 1.0
