DyTc2
传统材料 TRAMP-ID: mp-1102084 · Space group: P6_3/mmc (#194)
Basic Information
Formula
DyTc2
MP-ID
mp-1102084
Elements
2
Sites
12
Density
10.8908
g/cm³
Volume
218.64
ų
Cell a
5.3434
Å
Cell b
5.3444
Å
Cell c
8.8447
Å
α Angle
89.99
°
β Angle
90.00
°
γ Angle
120.04
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 20.08 | 4.4223 | 1.2 | (0,0,0,2) |
| 27.90 | 3.1977 | 3.6 | (1,-1,0,-2) |
| 27.90 | 3.1975 | 3.6 | (1,-1,0,2) |
| 27.91 | 3.1970 | 3.6 | (0,1,-1,2) |
| 27.91 | 3.1966 | 3.6 | (0,1,-1,-2) |
| 27.91 | 3.1966 | 3.6 | (1,0,-1,2) |
| 27.91 | 3.1964 | 3.6 | (1,0,-1,-2) |
| 33.54 | 2.6722 | 88.1 | (1,-2,1,0) |
| 33.54 | 2.6717 | 88.1 | (2,-1,-1,0) |
| 33.56 | 2.6702 | 88.0 | (1,1,-2,0) |
| 36.12 | 2.4868 | 85.9 | (1,-1,0,-3) |
| 36.12 | 2.4866 | 85.9 | (1,-1,0,3) |
| 36.12 | 2.4864 | 85.9 | (0,1,-1,3) |
| 36.13 | 2.4862 | 85.8 | (1,0,-1,3) |
| 36.13 | 2.4862 | 85.8 | (0,1,-1,-3) |
| 36.13 | 2.4861 | 85.8 | (1,0,-1,-3) |
| 38.91 | 2.3145 | 25.2 | (2,-2,0,0) |
| 38.93 | 2.3132 | 25.1 | (0,2,-2,0) |
| 38.94 | 2.3127 | 25.0 | (2,0,-2,0) |
| 39.40 | 2.2872 | 100.0 | (1,-2,1,-2) |
| 39.40 | 2.2870 | 100.0 | (1,-2,1,2) |
| 39.40 | 2.2868 | 99.9 | (2,-1,-1,2) |
| 39.40 | 2.2868 | 99.9 | (2,-1,-1,-2) |
| 39.42 | 2.2859 | 99.8 | (1,1,-2,2) |
Energy Properties
Formation Energy/atom
-0.20420
eV/atom
Energy/atom
-28.17457
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.1746
eV/atom
Volume/atom
18.22
ų
c/a Ratio
1.6553
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0002
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Tc · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102084
Reference Citation
The crystal structure and related material properties of DyTc2 were obtained from the Materials Project database (MP-ID: mp-1102084, 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_DyTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34336829
_cell_length_b 5.34443794
_cell_length_c 8.84464949
_cell_angle_alpha 89.99447309
_cell_angle_beta 89.99993721
_cell_angle_gamma 120.04329809
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyTc2
_chemical_formula_sum 'Dy4 Tc8'
_cell_volume 218.64459935
_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 0.66662781 0.33334792 0.56272719 1.0
Dy Dy1 1 0.33337375 0.66665249 0.43717995 1.0
Dy Dy2 1 0.33337196 0.66664941 0.06282100 1.0
Dy Dy3 1 0.66662799 0.33334973 0.93727057 1.0
Tc Tc4 1 0.00000059 0.00000103 0.49990778 1.0
Tc Tc5 1 1.00000013 0.99999898 0.00009173 1.0
Tc Tc6 1 0.17150068 0.34296568 0.75000257 1.0
Tc Tc7 1 0.17134995 0.82866089 0.74998583 1.0
Tc Tc8 1 0.65694516 0.82845880 0.74998703 1.0
Tc Tc9 1 0.82848204 0.65699942 0.24999692 1.0
Tc Tc10 1 0.82862922 0.17136014 0.25001388 1.0
Tc Tc11 1 0.34309172 0.17155951 0.25001256 1.0
