LuTe
Traditional Materials TRAMP-ID: mp-1185504 · Space group: P-6m2 (#187)
Basic Information
Formula
LuTe
MP-ID
mp-1185504
Elements
2
Sites
2
Density
9.1135
g/cm³
Volume
55.13
ų
Cell a
4.0051
Å
Cell b
4.0053
Å
Cell c
3.9683
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 |
|---|---|---|---|
| 22.40 | 3.9683 | 10.1 | (0,0,0,1) |
| 25.68 | 3.4687 | 75.6 | (0,1,-1,0) |
| 25.68 | 3.4686 | 75.6 | (1,0,-1,0) |
| 25.68 | 3.4686 | 75.6 | (1,-1,0,0) |
| 34.34 | 2.6116 | 100.0 | (0,1,-1,-1) |
| 34.34 | 2.6116 | 100.0 | (0,1,-1,1) |
| 34.34 | 2.6116 | 100.0 | (1,0,-1,1) |
| 34.34 | 2.6116 | 100.0 | (1,-1,0,1) |
| 34.34 | 2.6116 | 100.0 | (1,0,-1,-1) |
| 34.34 | 2.6116 | 100.0 | (1,-1,0,-1) |
| 45.28 | 2.0026 | 61.1 | (1,1,-2,0) |
| 45.28 | 2.0026 | 61.1 | (1,-2,1,0) |
| 45.28 | 2.0026 | 61.1 | (2,-1,-1,0) |
| 45.73 | 1.9842 | 59.4 | (0,0,0,2) |
| 51.09 | 1.7879 | 1.3 | (1,1,-2,-1) |
| 51.09 | 1.7879 | 1.3 | (1,1,-2,1) |
| 51.09 | 1.7879 | 1.3 | (1,-2,1,1) |
| 51.09 | 1.7879 | 1.3 | (1,-2,1,-1) |
| 51.09 | 1.7878 | 1.3 | (2,-1,-1,1) |
| 51.09 | 1.7878 | 1.3 | (2,-1,-1,-1) |
| 52.78 | 1.7344 | 10.6 | (0,2,-2,0) |
| 52.78 | 1.7343 | 10.6 | (2,0,-2,0) |
| 52.79 | 1.7343 | 10.6 | (2,-2,0,0) |
| 53.18 | 1.7223 | 10.4 | (0,1,-1,-2) |
Energy Properties
Formation Energy/atom
-1.34031
eV/atom
Energy/atom
-5.17281
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.0805
eV/atom
Volume/atom
27.56
ų
c/a Ratio
0.9908
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.7946
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.014410
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.544
Family
Binary Alloy
Matrix Element
Lu · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1185504
Reference Citation
The crystal structure and related material properties of LuTe were obtained from the Materials Project database (MP-ID: mp-1185504, 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_LuTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00510083
_cell_length_b 4.00524856
_cell_length_c 3.96829586
_cell_angle_alpha 90.00021826
_cell_angle_beta 89.99980087
_cell_angle_gamma 119.99849787
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuTe
_chemical_formula_sum 'Lu1 Te1'
_cell_volume 55.12951550
_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
Lu Lu0 1 0.66666458 0.33331697 0.74998820 1.0
Te Te1 1 0.33333942 0.66668303 0.25001080 1.0
