Te4Rh3
传统材料 TRAMP-ID: mp-1025159 · Space group: C2/m (#12)
Basic Information
Formula
Te4Rh3
MP-ID
mp-1025159
Elements
2
Sites
7
Density
8.7594
g/cm³
Volume
155.28
ų
Cell a
3.9837
Å
Cell b
6.8053
Å
Cell c
6.8501
Å
α Angle
117.64
°
β Angle
90.00
°
γ Angle
107.02
°
Space Group
C2/m
Point Group
2/m
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 |
|---|---|---|---|
| 14.79 | 5.9902 | 7.5 | (0,0,1) |
| 15.42 | 5.7459 | 15.5 | (0,1,-1) |
| 15.57 | 5.6904 | 18.2 | (0,1,0) |
| 23.66 | 3.7600 | 9.6 | (1,-1,0) |
| 25.88 | 3.4427 | 2.2 | (1,-1,1) |
| 26.04 | 3.4213 | 3.8 | (0,1,-2) |
| 26.32 | 3.3862 | 4.0 | (0,1,1) |
| 27.41 | 3.2534 | 7.9 | (0,2,-1) |
| 29.83 | 2.9951 | 33.5 | (0,0,2) |
| 30.02 | 2.9770 | 65.1 | (1,-1,-1) |
| 30.02 | 2.9770 | 65.1 | (1,0,1) |
| 30.67 | 2.9151 | 25.3 | (1,-2,1) |
| 30.67 | 2.9151 | 25.3 | (1,1,-1) |
| 31.13 | 2.8729 | 69.3 | (0,2,-2) |
| 31.44 | 2.8452 | 7.7 | (0,2,0) |
| 32.59 | 2.7472 | 8.9 | (1,-2,0) |
| 32.59 | 2.7472 | 8.9 | (1,1,0) |
| 35.76 | 2.5111 | 2.4 | (1,-2,2) |
| 35.76 | 2.5111 | 2.4 | (1,1,-2) |
| 40.26 | 2.2401 | 24.1 | (0,1,2) |
| 40.66 | 2.2191 | 37.5 | (1,-2,-1) |
| 40.66 | 2.2191 | 37.5 | (1,1,1) |
| 40.71 | 2.2163 | 1.7 | (0,2,-3) |
| 41.45 | 2.1787 | 6.4 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
-0.43549
eV/atom
Energy/atom
-25.30371
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.3037
eV/atom
Volume/atom
22.18
ų
c/a Ratio
1.7196
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
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
Te · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.653
Family
Binary Alloy
Matrix Element
Te · 0.571
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025159
Reference Citation
The crystal structure and related material properties of Te4Rh3 were obtained from the Materials Project database (MP-ID: mp-1025159, 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_Te4Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98364708
_cell_length_b 6.80528224
_cell_length_c 6.85013638
_cell_angle_alpha 117.63570999
_cell_angle_beta 90.00000000
_cell_angle_gamma 107.01895754
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te4Rh3
_chemical_formula_sum 'Te4 Rh3'
_cell_volume 155.28168424
_cell_formula_units_Z 1
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
Te Te0 1 0.87887145 0.75774390 0.54635853 1.0
Te Te1 1 0.12112855 0.24225610 0.45364147 1.0
Te Te2 1 0.63443136 0.26886572 0.98070263 1.0
Te Te3 1 0.36556864 0.73113428 0.01929737 1.0
Rh Rh4 1 0.73475408 0.46950816 0.71791999 1.0
Rh Rh5 1 0.26524592 0.53049184 0.28208001 1.0
Rh Rh6 1 -0.00000000 -0.00000000 0.00000000 1.0
