DyS2
Traditional Materials TRAMP-ID: mp-1018675 · Space group: P4/nmm (#129)
Basic Information
Formula
DyS2
MP-ID
mp-1018675
Elements
2
Sites
6
Density
6.3963
g/cm³
Volume
117.67
ų
Cell a
3.8509
Å
Cell b
3.8509
Å
Cell c
7.9349
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 |
|---|---|---|---|
| 11.15 | 7.9349 | 1.2 | (0,0,1) |
| 22.41 | 3.9674 | 29.0 | (0,0,2) |
| 25.71 | 3.4645 | 100.0 | (1,0,1) |
| 32.89 | 2.7230 | 38.7 | (1,1,0) |
| 33.89 | 2.6450 | 11.4 | (0,0,3) |
| 34.83 | 2.5756 | 16.1 | (1,1,1) |
| 40.17 | 2.2451 | 62.1 | (1,1,2) |
| 41.41 | 2.1802 | 43.5 | (1,0,3) |
| 45.74 | 1.9837 | 5.4 | (0,0,4) |
| 47.20 | 1.9255 | 27.4 | (2,0,0) |
| 47.95 | 1.8973 | 4.0 | (1,1,3) |
| 51.85 | 1.7635 | 5.9 | (1,0,4) |
| 52.85 | 1.7322 | 12.5 | (2,0,2) |
| 54.52 | 1.6830 | 26.8 | (2,1,1) |
| 57.48 | 1.6034 | 3.3 | (1,1,4) |
| 59.37 | 1.5567 | 8.4 | (2,0,3) |
| 63.39 | 1.4673 | 9.6 | (1,0,5) |
| 64.58 | 1.4432 | 23.2 | (2,1,3) |
| 67.83 | 1.3816 | 6.7 | (2,0,4) |
| 68.42 | 1.3711 | 5.4 | (1,1,5) |
| 68.98 | 1.3615 | 8.7 | (2,2,0) |
| 72.71 | 1.3005 | 4.3 | (2,1,4) |
| 73.55 | 1.2878 | 4.7 | (2,2,2) |
| 74.95 | 1.2672 | 5.2 | (3,0,1) |
Energy Properties
Formation Energy/atom
-1.90854
eV/atom
Energy/atom
-17.92517
eV/atom
Energy above Hull
0.0746
eV/atom
Uncorrected Energy
-17.9252
eV/atom
Volume/atom
19.61
ų
c/a Ratio
2.0605
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
S · 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
0.573
Family
Binary Alloy
Matrix Element
S · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018675
Reference Citation
The crystal structure and related material properties of DyS2 were obtained from the Materials Project database (MP-ID: mp-1018675, 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_DyS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85089954
_cell_length_b 3.85089954
_cell_length_c 7.93488442
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyS2
_chemical_formula_sum 'Dy2 S4'
_cell_volume 117.66979138
_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 0.72664374 1.0
Dy Dy1 1 0.25000000 0.25000000 0.27335626 1.0
S S2 1 0.75000000 0.75000000 0.36816351 1.0
S S3 1 0.25000000 0.25000000 0.63183649 1.0
S S4 1 0.75000000 0.25000000 -0.00000000 1.0
S S5 1 0.25000000 0.75000000 -0.00000000 1.0
