TmTe

Traditional Materials TRA

MP-ID: mp-10656 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

TmTe

MP-ID

mp-10656

Elements

Sites

Density

8.7484

g/cm³

Volume

112.57

Å³

Cell a

4.1046

Cell b

4.1046

Cell c

7.7155

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
23.05	3.8578	2.9	(0,0,0,2)
25.05	3.5547	6.5	(1,0,-1,0)
27.63	3.2285	85.8	(1,0,-1,1)
27.63	3.2285	42.9	(0,1,-1,1)
34.30	2.6141	100.0	(1,0,-1,2)
34.30	2.6141	50.0	(0,1,-1,2)
43.43	2.0837	38.4	(1,0,-1,3)
44.13	2.0523	24.5	(2,-1,-1,0)
44.13	2.0523	48.9	(1,1,-2,0)
47.12	1.9289	20.2	(0,0,0,4)
50.36	1.8118	1.6	(1,1,-2,2)
52.86	1.7320	14.5	(2,0,-2,1)
52.86	1.7320	7.2	(0,2,-2,1)
54.09	1.6954	1.4	(1,0,-1,4)
57.05	1.6142	34.7	(2,0,-2,2)
63.64	1.4622	8.3	(2,0,-2,3)
63.64	1.4622	4.1	(0,2,-2,3)
66.00	1.4155	11.1	(1,0,-1,5)
66.53	1.4055	14.4	(2,-1,-1,4)
66.53	1.4055	28.8	(1,1,-2,4)
71.24	1.3236	5.9	(3,-1,-2,1)
71.24	1.3236	11.9	(2,1,-3,1)
74.83	1.2688	10.3	(3,-1,-2,2)
74.83	1.2688	20.6	(2,1,-3,2)

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Energy Properties

Formation Energy/atom

-1.34149

eV/atom

Energy/atom

-31.61063

eV/atom

Energy above Hull

0.0660

eV/atom

Uncorrected Energy

-31.6106

eV/atom

Volume/atom

28.14

Å³

c/a Ratio

1.8797

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

Score

0.500

Family

Binary Alloy

Matrix Element

Tm · 0.500

Related Tasks

Related computation task IDs (5)

aaadmgom aaadtmbv aaaemdel aaaesmpe aaafxbgc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10656

Reference Citation

The crystal structure and related material properties of TmTe were obtained from the Materials Project database (MP-ID: mp-10656, 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…

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Raw CIF Data

# generated using pymatgen
data_TmTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10455184
_cell_length_b   4.10455143
_cell_length_c   7.71549244
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTe
_chemical_formula_sum   'Tm2 Te2'
_cell_volume   112.57079003
_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  0.66666700  0.33333300  0.75000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.25000000  1.0
  Te  Te2  1  -0.00000000  0.00000000  0.50000000  1.0
  Te  Te3  1  -0.00000000  0.00000000  -0.00000000  1.0

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