TeAs
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-10051 · Space group: Fm-3m (#225)
Basic Information
Formula
TeAs
MP-ID
mp-10051
Elements
2
Sites
2
Density
6.4335
g/cm³
Volume
52.27
ų
Cell a
4.1969
Å
Cell b
4.1969
Å
Cell c
4.1969
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.00 | 3.4268 | 10.2 | (1,1,1) |
| 30.11 | 2.9677 | 100.0 | (1,1,0) |
| 43.11 | 2.0985 | 74.2 | (2,1,1) |
| 51.03 | 1.7896 | 4.8 | (2,2,1) |
| 53.48 | 1.7134 | 26.1 | (2,2,2) |
| 62.60 | 1.4838 | 12.1 | (2,2,0) |
| 68.97 | 1.3617 | 1.9 | (3,2,2) |
| 71.02 | 1.3272 | 33.1 | (3,2,1) |
| 79.03 | 1.2115 | 24.6 | (3,3,2) |
| 84.89 | 1.1423 | 1.5 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.08956
eV/atom
Energy/atom
-19.97282
eV/atom
Energy above Hull
0.0908
eV/atom
Uncorrected Energy
-3.8228
eV/atom
Volume/atom
26.14
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0084
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000160
μB/ų
Elastic Properties
KVRH
62.239
GPa
GVRH
28.154
GPa
Young's Modulus E
73.395
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.211
Vickers Hardness Est.
2.571
GPa
Ductility
Brittle
Anisotropy
2.971
Lame λ
43.470
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 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
0.484
Family
Binary Alloy
Matrix Element
Te · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9710
Homogeneous Poisson ν
0.3030
Homogeneity
0.3030
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10051
Reference Citation
The crystal structure and related material properties of TeAs were obtained from the Materials Project database (MP-ID: mp-10051, 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_TeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19691492
_cell_length_b 4.19691492
_cell_length_c 4.19691492
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TeAs
_chemical_formula_sum 'Te1 As1'
_cell_volume 52.27276801
_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
Te Te0 1 0.50000000 0.50000000 0.50000000 1.0
As As1 1 0.00000000 0.00000000 0.00000000 1.0
