DyPa
Traditional Materials TRAMP-ID: mp-1183835 · Space group: P-6m2 (#187)
Basic Information
Formula
DyPa
MP-ID
mp-1183835
Elements
2
Sites
2
Density
11.9598
g/cm³
Volume
54.64
ų
Cell a
3.3035
Å
Cell b
3.3035
Å
Cell c
5.7814
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.33 | 5.7814 | 6.4 | (0,0,0,1) |
| 30.93 | 2.8907 | 45.6 | (0,0,0,2) |
| 31.27 | 2.8609 | 12.0 | (1,-1,0,0) |
| 31.27 | 2.8609 | 24.1 | (1,0,-1,0) |
| 34.99 | 2.5641 | 50.0 | (1,-1,0,1) |
| 34.99 | 2.5641 | 100.0 | (1,0,-1,1) |
| 44.56 | 2.0334 | 27.8 | (1,0,-1,2) |
| 55.64 | 1.6517 | 17.9 | (2,-1,-1,0) |
| 55.64 | 1.6517 | 8.9 | (1,1,-2,0) |
| 57.68 | 1.5983 | 36.5 | (1,0,-1,3) |
| 64.47 | 1.4454 | 5.8 | (0,0,0,4) |
| 65.03 | 1.4341 | 22.5 | (2,-1,-1,2) |
| 65.03 | 1.4341 | 11.2 | (1,1,-2,2) |
| 65.22 | 1.4305 | 1.5 | (2,-2,0,0) |
| 65.22 | 1.4305 | 3.1 | (2,0,-2,0) |
| 67.45 | 1.3886 | 7.7 | (2,-2,0,1) |
| 67.45 | 1.3886 | 15.3 | (2,0,-2,1) |
| 73.39 | 1.2901 | 6.5 | (1,0,-1,4) |
| 73.93 | 1.2821 | 2.1 | (2,-2,0,2) |
| 73.93 | 1.2821 | 4.3 | (2,0,-2,2) |
| 84.32 | 1.1486 | 4.3 | (2,-2,0,3) |
| 84.32 | 1.1486 | 8.5 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.19408
eV/atom
Energy/atom
-54.22483
eV/atom
Energy above Hull
0.1941
eV/atom
Uncorrected Energy
-6.8666
eV/atom
Volume/atom
27.32
ų
c/a Ratio
1.7501
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
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
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
0.415
Family
Binary Alloy
Matrix Element
Dy · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183835
Reference Citation
The crystal structure and related material properties of DyPa were obtained from the Materials Project database (MP-ID: mp-1183835, 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_DyPa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30348258
_cell_length_b 3.30348258
_cell_length_c 5.78141100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001157
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyPa
_chemical_formula_sum 'Dy1 Pa1'
_cell_volume 54.63972022
_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
Pa Pa1 1 0.00000000 0.00000000 0.00000000 1.0
