ReTe

Traditional Materials TRA

MP-ID: mp-974469 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

ReTe

MP-ID

mp-974469

Elements

Sites

Density

12.4771

g/cm³

Volume

83.53

Å³

Cell a

3.2990

Cell b

3.2990

Cell c

8.8621

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

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 23)

2θ	d (Å)	I	hkl
20.04	4.4310	23.6	(0,0,0,2)
31.31	2.8570	47.0	(1,0,-1,0)
32.94	2.7192	91.8	(1,0,-1,1)
37.45	2.4012	7.4	(1,0,-1,2)
40.73	2.2155	20.8	(0,0,0,4)
44.10	2.0537	100.0	(1,0,-1,3)
52.25	1.7508	15.2	(1,0,-1,4)
55.73	1.6495	24.7	(2,-1,-1,0)
55.73	1.6495	12.3	(1,1,-2,0)
59.83	1.5459	5.2	(2,-1,-1,2)
59.83	1.5459	2.6	(1,1,-2,2)
61.58	1.5061	1.7	(1,0,-1,5)
62.93	1.4770	5.6	(0,0,0,6)
65.32	1.4285	1.9	(2,-2,0,0)
65.32	1.4285	3.8	(2,0,-2,0)
66.27	1.4103	12.4	(2,0,-2,1)
71.28	1.3231	24.0	(2,-1,-1,4)
71.97	1.3121	5.7	(1,0,-1,6)
73.66	1.2860	7.3	(2,-2,0,3)
73.66	1.2860	14.6	(2,0,-2,3)
79.90	1.2006	4.4	(2,0,-2,4)
83.52	1.1575	16.1	(1,0,-1,7)
88.95	1.1004	13.6	(2,-1,-1,6)

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Energy Properties

Formation Energy/atom

0.57551

eV/atom

Energy/atom

-7.22020

eV/atom

Energy above Hull

0.9020

eV/atom

Uncorrected Energy

-7.0092

eV/atom

Volume/atom

20.88

Å³

c/a Ratio

2.6863

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

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

Re · 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

0.344

Family

Binary Alloy

Matrix Element

Re · 0.500

Related Tasks

Related computation task IDs (5)

aaaddfyq aaadnyjh aaadwliy aaaetfuw aaafjdfw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974469

Reference Citation

The crystal structure and related material properties of ReTe were obtained from the Materials Project database (MP-ID: mp-974469, 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_ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29899434
_cell_length_b   3.29899434
_cell_length_c   8.86206900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe
_chemical_formula_sum   'Re2 Te2'
_cell_volume   83.52738196
_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
  Re  Re0  1  0.66666700  0.33333300  0.53782800  1.0
  Re  Re1  1  0.33333300  0.66666700  0.03782800  1.0
  Te  Te2  1  0.66666700  0.33333300  0.83717200  1.0
  Te  Te3  1  0.33333300  0.66666700  0.33717200  1.0

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