Basic Information
Formula
DyTcRu
MP-ID
mp-3293710
Elements
3
Sites
12
Density
11.1905
g/cm³
Volume
214.61
ų
Cell a
5.1212
Å
Cell b
5.1212
Å
Cell c
9.1859
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
117.02
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 27.56 | 3.2367 | 3.5 | (1,0,-1,2) |
| 28.20 | 3.1648 | 2.1 | (1,-1,0,2) |
| 33.50 | 2.6749 | 23.7 | (1,1,-2,0) |
| 35.09 | 2.5572 | 21.3 | (2,-1,-1,0) |
| 35.09 | 2.5572 | 21.3 | (1,-2,1,0) |
| 35.30 | 2.5424 | 100.0 | (1,0,-1,3) |
| 35.82 | 2.5071 | 47.3 | (1,-1,0,3) |
| 38.97 | 2.3115 | 54.6 | (1,1,-2,2) |
| 39.23 | 2.2965 | 22.1 | (0,0,0,4) |
| 39.51 | 2.2810 | 11.9 | (2,0,-2,0) |
| 40.37 | 2.2343 | 96.9 | (2,-1,-1,2) |
| 40.76 | 2.2138 | 77.0 | (2,0,-2,1) |
| 41.35 | 2.1836 | 6.5 | (2,-2,0,0) |
| 42.56 | 2.1244 | 30.2 | (2,-2,0,1) |
| 44.15 | 2.0512 | 10.6 | (1,0,-1,4) |
| 44.34 | 2.0430 | 6.5 | (2,0,-2,2) |
| 44.58 | 2.0326 | 5.1 | (1,-1,0,4) |
| 46.02 | 1.9720 | 6.2 | (2,-2,0,2) |
| 53.79 | 1.7042 | 3.0 | (1,0,-1,5) |
| 53.79 | 1.7042 | 3.0 | (0,1,-1,5) |
| 54.16 | 1.6934 | 2.7 | (1,-1,0,5) |
| 56.34 | 1.6331 | 1.4 | (2,1,-3,2) |
| 60.47 | 1.5310 | 8.4 | (0,0,0,6) |
| 60.92 | 1.5207 | 8.4 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
-0.31720
eV/atom
Energy/atom
-28.10753
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.1075
eV/atom
Volume/atom
17.88
ų
c/a Ratio
1.7937
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0030
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
Dy · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.333
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293710
Reference Citation
The crystal structure and related material properties of DyTcRu were obtained from the Materials Project database (MP-ID: mp-3293710, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_DyTcRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12119360
_cell_length_b 5.12119339
_cell_length_c 9.18587949
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.02423991
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyTcRu
_chemical_formula_sum 'Dy4 Tc4 Ru4'
_cell_volume 214.61018643
_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 0.33243167 0.66756833 0.43717803 1.0
Dy Dy1 1 0.66986595 0.33013405 0.56755767 1.0
Dy Dy2 1 0.66986595 0.33013405 0.93244233 1.0
Dy Dy3 1 0.33243167 0.66756833 0.06282197 1.0
Tc Tc4 1 0.83306072 0.16693928 0.25000000 1.0
Tc Tc5 1 0.82999002 0.65876049 0.25000000 1.0
Tc Tc6 1 0.34123951 0.17000998 0.25000000 1.0
Tc Tc7 1 0.16008673 0.83991327 0.75000000 1.0
Ru Ru8 1 0.00669918 0.99330082 0.50392390 1.0
Ru Ru9 1 0.00669918 0.99330082 0.99607610 1.0
Ru Ru10 1 0.16839915 0.35077174 0.75000000 1.0
Ru Ru11 1 0.64922826 0.83160085 0.75000000 1.0
