TmTe
Traditional Materials TRAMP-ID: mp-1094027 · Space group: P6_3/mmc (#194)
Basic Information
Formula
TmTe
MP-ID
mp-1094027
Elements
2
Sites
4
Density
8.6980
g/cm³
Volume
113.22
ų
Cell a
4.2496
Å
Cell b
4.2479
Å
Cell c
7.2415
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.99
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 24.18 | 3.6808 | 52.5 | (1,0,-1,0) |
| 24.19 | 3.6793 | 53.2 | (1,-1,0,0) |
| 24.19 | 3.6793 | 53.1 | (0,1,-1,0) |
| 24.59 | 3.6207 | 8.5 | (0,0,0,2) |
| 27.18 | 3.2813 | 41.3 | (1,0,-1,-1) |
| 27.18 | 3.2812 | 41.4 | (1,0,-1,1) |
| 27.19 | 3.2803 | 41.7 | (1,-1,0,-1) |
| 27.19 | 3.2802 | 41.6 | (0,1,-1,1) |
| 27.19 | 3.2801 | 41.6 | (0,1,-1,-1) |
| 27.19 | 3.2801 | 41.6 | (1,-1,0,1) |
| 34.75 | 2.5813 | 100.0 | (1,0,-1,-2) |
| 34.76 | 2.5812 | 99.9 | (1,0,-1,2) |
| 34.76 | 2.5808 | 99.2 | (1,-1,0,-2) |
| 34.76 | 2.5807 | 99.3 | (0,1,-1,2) |
| 34.76 | 2.5806 | 99.2 | (0,1,-1,-2) |
| 34.76 | 2.5806 | 99.3 | (1,-1,0,2) |
| 42.55 | 2.1248 | 91.6 | (2,-1,-1,0) |
| 42.55 | 2.1248 | 91.6 | (1,1,-2,0) |
| 42.57 | 2.1239 | 91.5 | (1,-2,1,0) |
| 44.91 | 2.0185 | 10.5 | (1,0,-1,-3) |
| 44.91 | 2.0185 | 10.5 | (1,0,-1,3) |
| 44.91 | 2.0183 | 10.6 | (1,-1,0,-3) |
| 44.91 | 2.0183 | 10.5 | (0,1,-1,3) |
| 44.91 | 2.0182 | 10.6 | (0,1,-1,-3) |
Energy Properties
Formation Energy/atom
-1.40751
eV/atom
Energy/atom
-31.67665
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.6767
eV/atom
Volume/atom
28.31
ų
c/a Ratio
1.7040
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 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
Tm · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094027
Reference Citation
The crystal structure and related material properties of TmTe were obtained from the Materials Project database (MP-ID: mp-1094027, 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_TmTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24961006
_cell_length_b 4.24784977
_cell_length_c 7.24147171
_cell_angle_alpha 89.99588748
_cell_angle_beta 90.00408781
_cell_angle_gamma 119.98647498
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmTe
_chemical_formula_sum 'Tm2 Te2'
_cell_volume 113.22305579
_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
Tm Tm0 1 0.00000917 -0.00001743 0.49997671 1.0
Tm Tm1 1 0.00000633 -0.00001488 -0.00001625 1.0
Te Te2 1 0.66593378 0.33303540 0.75006615 1.0
Te Te3 1 0.33405071 0.66699591 0.24997339 1.0
