Basic Information
Formula
Tb3(DyRh)2
MP-ID
mp-3295803
Elements
3
Sites
14
Density
9.1715
g/cm³
Volume
364.86
ų
Cell a
6.4134
Å
Cell b
7.0890
Å
Cell c
8.6977
Å
α Angle
96.49
°
β Angle
111.63
°
γ Angle
90.00
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 11.03 | 8.0250 | 1.5 | (0,0,1) |
| 14.88 | 5.9556 | 6.2 | (1,0,-1) |
| 19.96 | 4.4480 | 24.0 | (1,-1,-1) |
| 22.15 | 4.0125 | 1.6 | (0,0,2) |
| 25.32 | 3.5182 | 3.5 | (0,2,0) |
| 26.12 | 3.4118 | 5.1 | (1,-1,-2) |
| 26.12 | 3.4118 | 5.1 | (1,1,1) |
| 26.39 | 3.3767 | 1.0 | (0,2,-1) |
| 27.82 | 3.2067 | 9.1 | (2,0,-1) |
| 28.89 | 3.0908 | 55.6 | (1,-2,0) |
| 28.92 | 3.0871 | 25.6 | (0,2,1) |
| 30.01 | 2.9778 | 2.7 | (2,0,-2) |
| 30.01 | 2.9778 | 2.7 | (2,0,0) |
| 30.08 | 2.9710 | 10.2 | (1,-2,-1) |
| 30.08 | 2.9710 | 10.2 | (1,2,0) |
| 30.64 | 2.9180 | 100.0 | (2,1,-1) |
| 31.16 | 2.8705 | 76.3 | (1,0,-3) |
| 31.16 | 2.8705 | 76.3 | (1,0,2) |
| 31.72 | 2.8208 | 57.1 | (0,2,-2) |
| 31.91 | 2.8048 | 65.7 | (1,2,-2) |
| 32.11 | 2.7878 | 52.6 | (2,1,-2) |
| 32.38 | 2.7651 | 36.2 | (1,1,-3) |
| 33.19 | 2.6990 | 32.8 | (2,-1,-2) |
| 33.19 | 2.6990 | 32.8 | (2,1,0) |
Energy Properties
Formation Energy/atom
-0.63599
eV/atom
Energy/atom
-30.05247
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.0525
eV/atom
Volume/atom
26.06
ų
c/a Ratio
1.3562
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.4386
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001200
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Tb-rich Multi-Component
Matrix Element
Tb · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295803
Reference Citation
The crystal structure and related material properties of Tb3(DyRh)2 were obtained from the Materials Project database (MP-ID: mp-3295803, 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_Tb3(DyRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41341633
_cell_length_b 7.08902628
_cell_length_c 8.69770983
_cell_angle_alpha 96.49027561
_cell_angle_beta 111.63450265
_cell_angle_gamma 90.00000152
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb3(DyRh)2
_chemical_formula_sum 'Tb6 Dy4 Rh4'
_cell_volume 364.85556766
_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
Tb Tb0 1 0.79316820 0.08309116 0.81092656 1.0
Tb Tb1 1 0.98224164 0.41690884 0.18907344 1.0
Tb Tb2 1 0.20724486 0.91604303 0.18983454 1.0
Tb Tb3 1 0.01741031 0.58395697 0.81016546 1.0
Tb Tb4 1 0.21421081 0.18673061 0.56525746 1.0
Tb Tb5 1 0.64895235 0.31326939 0.43474254 1.0
Dy Dy6 1 0.78608369 0.81333440 0.43389999 1.0
Dy Dy7 1 0.35218370 0.68666560 0.56610001 1.0
Dy Dy8 1 0.42834240 0.25000000 0.00000000 1.0
Dy Dy9 1 0.57069156 0.75000000 1.00000000 1.0
Rh Rh10 1 0.59766663 0.42785872 0.77909386 1.0
Rh Rh11 1 0.81857277 0.07214128 0.22090614 1.0
Rh Rh12 1 0.40313652 0.57289363 0.22304294 1.0
Rh Rh13 1 0.18009458 0.92710637 0.77695706 1.0
