Basic Information
Formula
Dy6SiTe2
MP-ID
mp-3293602
Elements
3
Sites
36
Density
8.3496
g/cm³
Volume
1,000.97
ų
Cell a
4.1966
Å
Cell b
11.3925
Å
Cell c
20.9368
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
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 |
|---|---|---|---|
| 8.84 | 10.0070 | 4.8 | (0,1,1) |
| 18.66 | 4.7562 | 3.5 | (0,1,4) |
| 20.12 | 4.4129 | 1.1 | (0,2,3) |
| 22.83 | 3.8952 | 15.3 | (1,0,2) |
| 22.98 | 3.8700 | 2.8 | (1,1,1) |
| 23.81 | 3.7365 | 3.0 | (0,3,1) |
| 24.15 | 3.6857 | 9.6 | (1,1,2) |
| 25.53 | 3.4895 | 2.8 | (0,0,6) |
| 25.98 | 3.4296 | 4.7 | (1,1,3) |
| 26.42 | 3.3739 | 18.6 | (0,2,5) |
| 26.72 | 3.3365 | 1.3 | (0,1,6) |
| 26.73 | 3.3357 | 4.0 | (0,3,3) |
| 26.73 | 3.3355 | 7.5 | (1,2,1) |
| 27.75 | 3.2153 | 5.5 | (1,2,2) |
| 28.36 | 3.1468 | 25.0 | (1,1,4) |
| 29.37 | 3.0410 | 85.4 | (1,2,3) |
| 30.03 | 2.9755 | 18.2 | (0,2,6) |
| 31.18 | 2.8686 | 100.0 | (1,1,5) |
| 31.52 | 2.8386 | 14.4 | (1,2,4) |
| 31.71 | 2.8221 | 16.0 | (0,4,1) |
| 31.78 | 2.8158 | 56.8 | (1,3,0) |
| 31.81 | 2.8130 | 1.6 | (0,3,5) |
| 32.07 | 2.7907 | 2.5 | (1,3,1) |
| 32.58 | 2.7482 | 58.6 | (0,4,2) |
Energy Properties
Formation Energy/atom
-0.94016
eV/atom
Energy/atom
-28.88450
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.8845
eV/atom
Volume/atom
27.80
ų
c/a Ratio
4.9890
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.1520
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.002150
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.667
Element Family
Lanthanide
Solute Fraction
0.333
Interstitial Fraction
0.111
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8487
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0560
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.102%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3873
smaller = more stable mixing
VEC
8.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7725
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293602
Reference Citation
The crystal structure and related material properties of Dy6SiTe2 were obtained from the Materials Project database (MP-ID: mp-3293602, 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_Dy6SiTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19655007
_cell_length_b 11.39251580
_cell_length_c 20.93674723
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy6SiTe2
_chemical_formula_sum 'Dy24 Si4 Te8'
_cell_volume 1000.97045466
_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 0.25000000 0.17252676 0.39180087 1.0
Dy Dy1 1 0.75000000 0.82747324 0.60819913 1.0
Dy Dy2 1 0.75000000 0.67252676 0.10819913 1.0
Dy Dy3 1 0.25000000 0.32747324 0.89180087 1.0
Dy Dy4 1 0.25000000 0.46103445 0.34743883 1.0
Dy Dy5 1 0.75000000 0.53896555 0.65256117 1.0
Dy Dy6 1 0.75000000 0.96103445 0.15256117 1.0
Dy Dy7 1 0.25000000 0.03896555 0.84743883 1.0
Dy Dy8 1 0.25000000 0.74640959 0.23023709 1.0
Dy Dy9 1 0.75000000 0.25359041 0.76976291 1.0
Dy Dy10 1 0.75000000 0.24640959 0.26976291 1.0
Dy Dy11 1 0.25000000 0.75359041 0.73023709 1.0
Dy Dy12 1 0.25000000 0.11788117 0.02355544 1.0
Dy Dy13 1 0.75000000 0.88211883 0.97644456 1.0
Dy Dy14 1 0.75000000 0.61788117 0.47644456 1.0
Dy Dy15 1 0.25000000 0.38211883 0.52355544 1.0
Dy Dy16 1 0.25000000 0.42360200 0.14293525 1.0
Dy Dy17 1 0.75000000 0.57639800 0.85706475 1.0
Dy Dy18 1 0.75000000 0.92360200 0.35706475 1.0
Dy Dy19 1 0.25000000 0.07639800 0.64293525 1.0
Dy Dy20 1 0.25000000 0.61156385 0.99506625 1.0
Dy Dy21 1 0.75000000 0.38843615 0.00493375 1.0
Dy Dy22 1 0.75000000 0.11156385 0.50493375 1.0
Dy Dy23 1 0.25000000 0.88843615 0.49506625 1.0
Si Si24 1 0.25000000 0.85597187 0.07482258 1.0
Si Si25 1 0.75000000 0.14402813 0.92517742 1.0
Si Si26 1 0.75000000 0.35597187 0.42517742 1.0
Si Si27 1 0.25000000 0.64402813 0.57482258 1.0
Te Te28 1 0.25000000 0.72173399 0.37683732 1.0
Te Te29 1 0.75000000 0.27826601 0.62316268 1.0
Te Te30 1 0.75000000 0.22173399 0.12316268 1.0
Te Te31 1 0.25000000 0.77826601 0.87683732 1.0
Te Te32 1 0.25000000 0.03058908 0.26062078 1.0
Te Te33 1 0.75000000 0.96941092 0.73937922 1.0
Te Te34 1 0.75000000 0.53058908 0.23937922 1.0
Te Te35 1 0.25000000 0.46941092 0.76062078 1.0
