Basic Information
Formula
Dy(SiTc2)2
MP-ID
mp-3295358
Elements
3
Sites
14
Density
9.2222
g/cm³
Volume
219.91
ų
Cell a
7.3004
Å
Cell b
7.3004
Å
Cell c
4.1263
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mnm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 17.18 | 5.1622 | 1.3 | (1,1,0) |
| 24.39 | 3.6502 | 9.4 | (2,0,0) |
| 24.79 | 3.5922 | 12.3 | (1,0,1) |
| 27.68 | 3.2231 | 21.2 | (1,1,1) |
| 34.76 | 2.5811 | 6.9 | (2,2,0) |
| 35.05 | 2.5603 | 100.0 | (2,1,1) |
| 39.02 | 2.3086 | 54.0 | (3,1,0) |
| 41.26 | 2.1882 | 52.3 | (2,2,1) |
| 43.88 | 2.0632 | 32.6 | (0,0,2) |
| 44.76 | 2.0248 | 5.0 | (3,2,0) |
| 45.00 | 2.0147 | 31.8 | (3,1,1) |
| 49.97 | 1.8251 | 1.1 | (4,0,0) |
| 50.84 | 1.7961 | 2.8 | (2,0,2) |
| 51.62 | 1.7706 | 12.3 | (4,1,0) |
| 53.23 | 1.7207 | 1.2 | (3,3,0) |
| 56.36 | 1.6324 | 3.1 | (4,2,0) |
| 56.56 | 1.6271 | 11.9 | (4,1,1) |
| 57.16 | 1.6116 | 3.3 | (2,2,2) |
| 60.15 | 1.5384 | 30.0 | (3,1,2) |
| 63.74 | 1.4601 | 1.9 | (5,0,0) |
| 64.48 | 1.4451 | 3.3 | (3,2,2) |
| 65.16 | 1.4317 | 6.7 | (5,1,0) |
| 68.12 | 1.3765 | 26.1 | (5,0,1) |
| 69.32 | 1.3557 | 4.2 | (5,2,0) |
Energy Properties
Formation Energy/atom
-0.60949
eV/atom
Energy/atom
-22.52206
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.5221
eV/atom
Volume/atom
15.71
ų
c/a Ratio
0.5652
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.286
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.536
Family
Interstitial Alloy
Matrix Element
Tc · 0.571
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295358
Reference Citation
The crystal structure and related material properties of Dy(SiTc2)2 were obtained from the Materials Project database (MP-ID: mp-3295358, 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_Dy(SiTc2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30038056
_cell_length_b 7.30038056
_cell_length_c 4.12630618
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(SiTc2)2
_chemical_formula_sum 'Dy2 Si4 Tc8'
_cell_volume 219.91378315
_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 0.50000000 0.50000000 0.50000000 1.0
Dy Dy1 1 0.00000000 0.00000000 0.00000000 1.0
Si Si2 1 0.79156007 0.20843993 0.50000000 1.0
Si Si3 1 0.20843993 0.79156007 0.50000000 1.0
Si Si4 1 0.29156007 0.29156007 0.00000000 1.0
Si Si5 1 0.70843993 0.70843993 0.00000000 1.0
Tc Tc6 1 0.65608721 0.90584292 0.50000000 1.0
Tc Tc7 1 0.34391279 0.09415708 0.50000000 1.0
Tc Tc8 1 0.15608721 0.59415708 0.00000000 1.0
Tc Tc9 1 0.84391279 0.40584292 0.00000000 1.0
Tc Tc10 1 0.90584292 0.65608721 0.50000000 1.0
Tc Tc11 1 0.09415708 0.34391279 0.50000000 1.0
Tc Tc12 1 0.59415708 0.15608721 0.00000000 1.0
Tc Tc13 1 0.40584292 0.84391279 0.00000000 1.0
