DyZr
Traditional Materials TRAMP-ID: mp-1184123 · Space group: P-6m2 (#187)
Basic Information
Formula
DyZr
MP-ID
mp-1184123
Elements
2
Sites
2
Density
7.7753
g/cm³
Volume
54.19
ų
Cell a
3.3981
Å
Cell b
3.3981
Å
Cell c
5.4187
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
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 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.36 | 5.4187 | 8.8 | (0,0,0,1) |
| 30.37 | 2.9428 | 28.0 | (1,0,-1,0) |
| 33.06 | 2.7093 | 24.7 | (0,0,0,2) |
| 34.69 | 2.5861 | 100.0 | (1,0,-1,1) |
| 45.51 | 1.9932 | 12.3 | (1,0,-1,2) |
| 45.51 | 1.9932 | 6.2 | (1,-1,0,2) |
| 53.97 | 1.6990 | 18.3 | (2,-1,-1,0) |
| 56.79 | 1.6212 | 1.6 | (2,-1,-1,1) |
| 60.11 | 1.5394 | 20.2 | (1,0,-1,3) |
| 63.19 | 1.4714 | 2.3 | (2,0,-2,0) |
| 63.19 | 1.4714 | 1.2 | (2,-2,0,0) |
| 64.77 | 1.4394 | 7.0 | (1,1,-2,2) |
| 64.77 | 1.4394 | 14.0 | (2,-1,-1,2) |
| 65.76 | 1.4200 | 10.3 | (2,0,-2,1) |
| 65.76 | 1.4200 | 5.1 | (2,-2,0,1) |
| 69.37 | 1.3547 | 2.8 | (0,0,0,4) |
| 73.20 | 1.2930 | 3.0 | (2,0,-2,2) |
| 73.20 | 1.2930 | 1.5 | (2,-2,0,2) |
| 77.58 | 1.2306 | 2.6 | (1,0,-1,4) |
| 77.58 | 1.2306 | 1.3 | (1,-1,0,4) |
| 85.03 | 1.1408 | 5.1 | (2,0,-2,3) |
| 85.03 | 1.1408 | 2.6 | (2,-2,0,3) |
| 87.75 | 1.1123 | 1.9 | (3,-1,-2,0) |
Energy Properties
Formation Energy/atom
0.10433
eV/atom
Energy/atom
-27.26147
eV/atom
Energy above Hull
0.1043
eV/atom
Uncorrected Energy
-6.4729
eV/atom
Volume/atom
27.09
ų
c/a Ratio
1.5946
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.555
Family
Binary Alloy
Matrix Element
Dy · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184123
Reference Citation
The crystal structure and related material properties of DyZr were obtained from the Materials Project database (MP-ID: mp-1184123, 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_DyZr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39808754
_cell_length_b 3.39808754
_cell_length_c 5.41868900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999102
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyZr
_chemical_formula_sum 'Dy1 Zr1'
_cell_volume 54.18686458
_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
Dy Dy0 1 0.33333300 0.66666700 0.50000000 1.0
Zr Zr1 1 0.00000000 0.00000000 0.00000000 1.0
