Basic Information
Formula
DyTlPd
MP-ID
mp-11373
Elements
3
Sites
9
Density
11.8966
g/cm³
Volume
198.19
ų
Cell a
7.7876
Å
Cell b
7.7876
Å
Cell c
3.7735
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.13 | 6.7443 | 1.9 | (1,0,-1,0) |
| 22.84 | 3.8938 | 5.0 | (2,-1,-1,0) |
| 23.58 | 3.7735 | 3.2 | (0,0,0,1) |
| 33.06 | 2.7098 | 100.0 | (2,-1,-1,1) |
| 35.21 | 2.5491 | 47.6 | (3,-1,-2,0) |
| 35.71 | 2.5144 | 60.9 | (2,0,-2,1) |
| 40.11 | 2.2481 | 13.2 | (0,3,-3,0) |
| 40.11 | 2.2481 | 26.4 | (3,0,-3,0) |
| 42.81 | 2.1123 | 13.8 | (2,1,-3,1) |
| 42.81 | 2.1123 | 6.9 | (3,-1,-2,1) |
| 47.05 | 1.9313 | 2.4 | (3,0,-3,1) |
| 48.23 | 1.8868 | 18.9 | (0,0,0,2) |
| 48.68 | 1.8705 | 6.8 | (3,1,-4,0) |
| 48.68 | 1.8705 | 3.4 | (4,-1,-3,0) |
| 52.92 | 1.7302 | 4.4 | (2,2,-4,1) |
| 52.92 | 1.7302 | 2.2 | (4,-2,-2,1) |
| 54.01 | 1.6979 | 1.2 | (2,-1,-1,2) |
| 54.42 | 1.6861 | 1.5 | (0,4,-4,0) |
| 54.42 | 1.6861 | 3.0 | (4,0,-4,0) |
| 54.77 | 1.6759 | 9.7 | (4,-1,-3,1) |
| 59.77 | 1.5472 | 1.6 | (2,3,-5,0) |
| 59.77 | 1.5472 | 3.2 | (5,-2,-3,0) |
| 60.11 | 1.5394 | 5.7 | (4,0,-4,1) |
| 61.11 | 1.5165 | 13.1 | (2,1,-3,2) |
Energy Properties
Formation Energy/atom
-0.73227
eV/atom
Energy/atom
-36.77279
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.7728
eV/atom
Volume/atom
22.02
ų
c/a Ratio
0.4846
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11373
Reference Citation
The crystal structure and related material properties of DyTlPd were obtained from the Materials Project database (MP-ID: mp-11373, 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_DyTlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78759091
_cell_length_b 7.78759172
_cell_length_c 3.77353925
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999662
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyTlPd
_chemical_formula_sum 'Dy3 Tl3 Pd3'
_cell_volume 198.19186393
_cell_formula_units_Z 3
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 0.59762177 -0.00000000 0.50000000 1.0
Dy Dy1 1 0.40237823 0.40237823 0.50000000 1.0
Dy Dy2 1 -0.00000000 0.59762177 0.50000000 1.0
Tl Tl3 1 0.26791694 -0.00000000 -0.00000000 1.0
Tl Tl4 1 0.73208306 0.73208306 0.00000000 1.0
Tl Tl5 1 -0.00000000 0.26791694 -0.00000000 1.0
Pd Pd6 1 0.33333300 0.66666700 -0.00000000 1.0
Pd Pd7 1 0.66666700 0.33333300 -0.00000000 1.0
Pd Pd8 1 -0.00000000 -0.00000000 0.50000000 1.0
