Ga3Te

Traditional Materials TRA

MP-ID: mp-973545 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ga3Te

MP-ID

mp-973545

Elements

Sites

Density

6.0031

g/cm³

Volume

186.31

Å³

Cell a

6.3941

Cell b

6.3941

Cell c

5.2619

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 20)

2θ	d (Å)	I	hkl
23.32	3.8144	9.7	(1,0,-1,1)
27.91	3.1971	3.2	(2,-1,-1,0)
32.33	2.7687	23.5	(2,0,-2,0)
34.08	2.6310	27.6	(0,0,0,2)
36.68	2.4502	100.0	(2,0,-2,1)
43.23	2.0930	1.3	(3,-1,-2,0)
44.60	2.0315	1.8	(2,-1,-1,2)
47.68	1.9072	15.6	(2,0,-2,2)
56.16	1.6379	1.8	(3,-1,-2,2)
57.67	1.5985	17.0	(4,-2,-2,0)
62.71	1.4817	20.2	(2,0,-2,3)
63.05	1.4743	1.5	(4,-1,-3,1)
67.68	1.3844	2.6	(4,0,-4,0)
68.71	1.3661	19.7	(4,-2,-2,2)
70.31	1.3388	13.6	(4,0,-4,1)
71.75	1.3155	3.0	(0,0,0,4)
77.26	1.2349	1.3	(5,-2,-3,1)
77.99	1.2251	3.4	(4,0,-4,2)
80.91	1.1882	2.1	(2,0,-2,4)
80.91	1.1882	1.1	(2,-2,0,4)

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Energy Properties

Formation Energy/atom

-0.01379

eV/atom

Energy/atom

-14.95018

eV/atom

Energy above Hull

0.2077

eV/atom

Uncorrected Energy

-3.0312

eV/atom

Volume/atom

23.29

Å³

c/a Ratio

0.8229

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0073

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.503

Family

Binary Alloy

Matrix Element

Ga · 0.750

Related Tasks

Related computation task IDs (5)

aaadokbf aaadvsck aaaeabtw aaaeqige aaafbgnr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973545

Reference Citation

The crystal structure and related material properties of Ga3Te were obtained from the Materials Project database (MP-ID: mp-973545, 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_Ga3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39412192
_cell_length_b   6.39412192
_cell_length_c   5.26189500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Te
_chemical_formula_sum   'Ga6 Te2'
_cell_volume   186.30934508
_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
  Ga  Ga0  1  0.15840700  0.31681400  0.25000000  1.0
  Ga  Ga1  1  0.68318600  0.84159300  0.25000000  1.0
  Ga  Ga2  1  0.15840700  0.84159300  0.25000000  1.0
  Ga  Ga3  1  0.84159300  0.68318600  0.75000000  1.0
  Ga  Ga4  1  0.31681400  0.15840700  0.75000000  1.0
  Ga  Ga5  1  0.84159300  0.15840700  0.75000000  1.0
  Te  Te6  1  0.33333300  0.66666700  0.75000000  1.0
  Te  Te7  1  0.66666700  0.33333300  0.25000000  1.0

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