Dy3Y
Traditional Materials TRAMP-ID: mp-1184145 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Dy3Y
MP-ID
mp-1184145
Elements
2
Sites
8
Density
7.4001
g/cm³
Volume
258.68
ų
Cell a
7.2969
Å
Cell b
7.2969
Å
Cell c
5.6100
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
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.01 | 6.3193 | 1.9 | (1,0,-1,0) |
| 21.18 | 4.1953 | 3.9 | (1,0,-1,1) |
| 24.40 | 3.6485 | 2.0 | (2,-1,-1,0) |
| 28.24 | 3.1597 | 24.1 | (2,0,-2,0) |
| 31.90 | 2.8050 | 23.4 | (0,0,0,2) |
| 32.52 | 2.7530 | 100.0 | (2,0,-2,1) |
| 41.07 | 2.1976 | 1.1 | (3,-1,-2,1) |
| 43.12 | 2.0977 | 15.3 | (2,0,-2,2) |
| 50.00 | 1.8242 | 19.9 | (4,-2,-2,0) |
| 57.25 | 1.6093 | 19.9 | (2,0,-2,3) |
| 58.42 | 1.5798 | 1.0 | (4,-4,0,0) |
| 58.42 | 1.5798 | 2.1 | (4,0,-4,0) |
| 60.54 | 1.5293 | 22.4 | (4,-2,-2,2) |
| 60.92 | 1.5207 | 5.5 | (4,-4,0,1) |
| 60.92 | 1.5207 | 11.0 | (4,0,-4,1) |
| 66.69 | 1.4025 | 2.8 | (0,0,0,4) |
| 68.12 | 1.3765 | 1.3 | (4,-4,0,2) |
| 68.12 | 1.3765 | 2.6 | (4,0,-4,2) |
| 73.94 | 1.2819 | 3.1 | (2,0,-2,4) |
| 79.41 | 1.2068 | 7.7 | (4,0,-4,3) |
| 80.41 | 1.1942 | 1.7 | (6,-2,-4,0) |
| 82.60 | 1.1681 | 14.0 | (6,-2,-4,1) |
| 87.79 | 1.1119 | 5.5 | (4,-2,-2,4) |
| 87.79 | 1.1119 | 2.7 | (2,2,-4,4) |
Energy Properties
Formation Energy/atom
0.01458
eV/atom
Energy/atom
-29.05017
eV/atom
Energy above Hull
0.0147
eV/atom
Uncorrected Energy
-29.0502
eV/atom
Volume/atom
32.34
ų
c/a Ratio
0.7688
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.712
Family
Binary Alloy
Matrix Element
Dy · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184145
Reference Citation
The crystal structure and related material properties of Dy3Y were obtained from the Materials Project database (MP-ID: mp-1184145, 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_Dy3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29690746
_cell_length_b 7.29690746
_cell_length_c 5.60996122
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000472
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy3Y
_chemical_formula_sum 'Dy6 Y2'
_cell_volume 258.68315389
_cell_formula_units_Z 2
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 0.16618715 0.33237431 0.25000000 1.0
Dy Dy1 1 0.66762569 0.83381285 0.25000000 1.0
Dy Dy2 1 0.16618715 0.83381285 0.25000000 1.0
Dy Dy3 1 0.83381285 0.66762569 0.75000000 1.0
Dy Dy4 1 0.33237431 0.16618715 0.75000000 1.0
Dy Dy5 1 0.83381285 0.16618715 0.75000000 1.0
Y Y6 1 0.33333300 0.66666700 0.75000000 1.0
Y Y7 1 0.66666700 0.33333300 0.25000000 1.0
