Basic Information
Formula
DyAsPt
MP-ID
mp-1103232
Elements
3
Sites
12
Density
11.9254
g/cm³
Volume
240.89
ų
Cell a
4.2600
Å
Cell b
4.2600
Å
Cell c
15.3274
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.21 | 3.8319 | 7.7 | (0,0,0,4) |
| 24.82 | 3.5869 | 8.1 | (1,-1,0,1) |
| 24.82 | 3.5869 | 16.2 | (1,0,-1,1) |
| 29.87 | 2.9910 | 3.4 | (1,0,-1,3) |
| 33.72 | 2.6577 | 50.0 | (1,-1,0,4) |
| 33.72 | 2.6577 | 100.0 | (1,0,-1,4) |
| 38.17 | 2.3578 | 17.2 | (1,0,-1,5) |
| 42.44 | 2.1300 | 58.1 | (2,-1,-1,0) |
| 42.44 | 2.1300 | 29.1 | (1,1,-2,0) |
| 47.45 | 1.9159 | 18.0 | (0,0,0,8) |
| 48.92 | 1.8617 | 4.2 | (2,-1,-1,4) |
| 48.92 | 1.8617 | 2.1 | (1,1,-2,4) |
| 49.79 | 1.8314 | 1.3 | (2,-2,0,1) |
| 49.79 | 1.8314 | 2.6 | (2,0,-2,1) |
| 55.27 | 1.6621 | 12.3 | (2,-2,0,4) |
| 55.27 | 1.6621 | 24.6 | (2,0,-2,4) |
| 58.39 | 1.5806 | 1.7 | (2,-2,0,5) |
| 58.39 | 1.5806 | 3.4 | (2,0,-2,5) |
| 59.81 | 1.5463 | 7.3 | (1,0,-1,9) |
| 65.53 | 1.4245 | 27.4 | (2,-1,-1,8) |
| 65.53 | 1.4245 | 13.7 | (1,1,-2,8) |
| 67.44 | 1.3887 | 1.1 | (3,-2,-1,1) |
| 67.44 | 1.3887 | 1.1 | (3,-1,-2,1) |
| 67.44 | 1.3887 | 1.1 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
-1.39430
eV/atom
Energy/atom
-34.11998
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.1200
eV/atom
Volume/atom
20.07
ų
c/a Ratio
3.5980
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-1103232
Reference Citation
The crystal structure and related material properties of DyAsPt were obtained from the Materials Project database (MP-ID: mp-1103232, 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_DyAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26004050
_cell_length_b 4.26004050
_cell_length_c 15.32744153
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001466
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyAsPt
_chemical_formula_sum 'Dy4 As4 Pt4'
_cell_volume 240.89494808
_cell_formula_units_Z 4
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 0.00000000 0.00000000 0.50000000 1.0
Dy Dy1 1 0.00000000 0.00000000 0.00000000 1.0
Dy Dy2 1 0.00000000 0.00000000 0.25000000 1.0
Dy Dy3 1 0.00000000 0.00000000 0.75000000 1.0
As As4 1 0.33333300 0.66666700 0.88373489 1.0
As As5 1 0.66666700 0.33333300 0.11626511 1.0
As As6 1 0.66666700 0.33333300 0.38373489 1.0
As As7 1 0.33333300 0.66666700 0.61626511 1.0
Pt Pt8 1 0.33333300 0.66666700 0.36458442 1.0
Pt Pt9 1 0.66666700 0.33333300 0.63541558 1.0
Pt Pt10 1 0.66666700 0.33333300 0.86458442 1.0
Pt Pt11 1 0.33333300 0.66666700 0.13541558 1.0
