DySe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018683 · Space group: P4/nmm (#129)
Basic Information
Formula
DySe2
MP-ID
mp-1018683
Elements
2
Sites
6
Density
7.7876
g/cm³
Volume
136.65
ų
Cell a
4.0583
Å
Cell b
4.0583
Å
Cell c
8.2967
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 21.42 | 4.1483 | 11.6 | (0,0,2) |
| 24.42 | 3.6456 | 55.6 | (1,0,1) |
| 30.82 | 2.9010 | 3.6 | (1,0,2) |
| 31.17 | 2.8697 | 38.8 | (1,1,0) |
| 32.37 | 2.7656 | 30.1 | (0,0,3) |
| 33.03 | 2.7120 | 64.6 | (1,1,1) |
| 38.13 | 2.3600 | 100.0 | (1,1,2) |
| 39.43 | 2.2854 | 61.3 | (1,0,3) |
| 43.64 | 2.0742 | 5.5 | (0,0,4) |
| 44.66 | 2.0292 | 57.2 | (2,0,0) |
| 45.55 | 1.9913 | 2.7 | (1,1,3) |
| 49.34 | 1.8469 | 5.1 | (1,0,4) |
| 50.04 | 1.8228 | 5.2 | (2,0,2) |
| 51.55 | 1.7730 | 15.2 | (2,1,1) |
| 55.24 | 1.6628 | 1.3 | (2,1,2) |
| 56.23 | 1.6360 | 24.5 | (2,0,3) |
| 60.26 | 1.5359 | 15.7 | (1,0,5) |
| 61.07 | 1.5174 | 33.9 | (2,1,3) |
| 64.21 | 1.4505 | 7.0 | (2,0,4) |
| 64.92 | 1.4365 | 7.2 | (1,1,5) |
| 65.00 | 1.4348 | 18.6 | (2,2,0) |
| 68.72 | 1.3659 | 3.8 | (2,1,4) |
| 69.29 | 1.3560 | 2.0 | (2,2,2) |
| 70.54 | 1.3351 | 3.0 | (3,0,1) |
Energy Properties
Formation Energy/atom
-1.79074
eV/atom
Energy/atom
-21.99238
eV/atom
Energy above Hull
0.0321
eV/atom
Uncorrected Energy
-21.9924
eV/atom
Volume/atom
22.77
ų
c/a Ratio
2.0444
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
KVRH
77.099
GPa
GVRH
40.405
GPa
Young's Modulus E
103.189
GPa
Poisson Ratio ν
0.277
Pugh Ratio K/G
1.908
Vickers Hardness Est.
5.175
GPa
Ductility
Brittle
Anisotropy
0.179
Lame λ
50.162
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Se · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.601
Family
Binary Alloy
Matrix Element
Se · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1790
Homogeneous Poisson ν
0.2770
Homogeneity
0.2770
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018683
Reference Citation
The crystal structure and related material properties of DySe2 were obtained from the Materials Project database (MP-ID: mp-1018683, 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_DySe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05831523
_cell_length_b 4.05831523
_cell_length_c 8.29668479
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DySe2
_chemical_formula_sum 'Dy2 Se4'
_cell_volume 136.64575555
_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 0.75000000 0.75000000 0.72685170 1.0
Dy Dy1 1 0.25000000 0.25000000 0.27314830 1.0
Se Se2 1 0.75000000 0.25000000 -0.00000000 1.0
Se Se3 1 0.25000000 0.75000000 -0.00000000 1.0
Se Se4 1 0.75000000 0.75000000 0.36968099 1.0
Se Se5 1 0.25000000 0.25000000 0.63031901 1.0
