Basic Information
Formula
Dy(Tc2P)2
MP-ID
mp-3295737
Elements
3
Sites
14
Density
9.6178
g/cm³
Volume
212.86
ų
Cell a
7.3567
Å
Cell b
7.3567
Å
Cell c
3.9331
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 |
|---|---|---|---|
| 17.05 | 5.2020 | 1.1 | (1,1,0) |
| 24.20 | 3.6783 | 10.0 | (2,0,0) |
| 25.68 | 3.4685 | 7.3 | (1,0,1) |
| 28.45 | 3.1373 | 12.1 | (1,1,1) |
| 34.48 | 2.6010 | 4.2 | (2,2,0) |
| 35.58 | 2.5235 | 100.0 | (2,1,1) |
| 38.71 | 2.3264 | 44.9 | (3,1,0) |
| 41.63 | 2.1695 | 37.0 | (2,2,1) |
| 44.40 | 2.0404 | 5.8 | (3,2,0) |
| 45.29 | 2.0023 | 27.4 | (3,1,1) |
| 46.16 | 1.9666 | 25.0 | (0,0,2) |
| 51.20 | 1.7843 | 14.2 | (4,1,0) |
| 52.79 | 1.7343 | 2.7 | (2,0,2) |
| 52.79 | 1.7340 | 3.2 | (3,3,0) |
| 55.89 | 1.6450 | 1.9 | (4,2,0) |
| 56.65 | 1.6249 | 12.3 | (4,1,1) |
| 58.87 | 1.5687 | 1.8 | (2,2,2) |
| 61.77 | 1.5019 | 22.5 | (3,1,2) |
| 63.20 | 1.4713 | 1.9 | (4,3,0) |
| 64.60 | 1.4428 | 4.1 | (5,1,0) |
| 65.98 | 1.4159 | 3.4 | (3,2,2) |
| 68.03 | 1.3781 | 22.3 | (4,3,1) |
| 68.71 | 1.3661 | 5.4 | (5,2,0) |
| 71.38 | 1.3214 | 10.2 | (4,1,2) |
Energy Properties
Formation Energy/atom
-0.79665
eV/atom
Energy/atom
-22.77445
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.7745
eV/atom
Volume/atom
15.20
ų
c/a Ratio
0.5346
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0017
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-3295737
Reference Citation
The crystal structure and related material properties of Dy(Tc2P)2 were obtained from the Materials Project database (MP-ID: mp-3295737, 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(Tc2P)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35667592
_cell_length_b 7.35667592
_cell_length_c 3.93311673
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(Tc2P)2
_chemical_formula_sum 'Dy2 Tc8 P4'
_cell_volume 212.86295453
_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 0.00000000 0.00000000 0.00000000 1.0
Dy Dy1 1 0.50000000 0.50000000 0.50000000 1.0
Tc Tc2 1 0.58281330 0.83914992 0.00000000 1.0
Tc Tc3 1 0.83914992 0.58281330 0.00000000 1.0
Tc Tc4 1 0.16085008 0.41718670 0.00000000 1.0
Tc Tc5 1 0.41718670 0.16085008 0.00000000 1.0
Tc Tc6 1 0.66085008 0.08281330 0.50000000 1.0
Tc Tc7 1 0.91718670 0.33914992 0.50000000 1.0
Tc Tc8 1 0.08281330 0.66085008 0.50000000 1.0
Tc Tc9 1 0.33914992 0.91718670 0.50000000 1.0
P P10 1 0.71119508 0.28880492 0.00000000 1.0
P P11 1 0.28880492 0.71119508 0.00000000 1.0
P P12 1 0.78880492 0.78880492 0.50000000 1.0
P P13 1 0.21119508 0.21119508 0.50000000 1.0
