Basic Information
Formula
ScTe
MP-ID
mp-10026
Elements
2
Sites
4
Density
5.5465
g/cm³
Volume
103.32
ų
Cell a
4.1634
Å
Cell b
4.1634
Å
Cell c
6.8829
Å
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
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 |
|---|---|---|---|
| 24.69 | 3.6056 | 1.0 | (1,0,-1,0) |
| 25.89 | 3.4414 | 10.7 | (0,0,0,2) |
| 27.94 | 3.1939 | 100.0 | (1,0,-1,1) |
| 36.08 | 2.4895 | 49.9 | (1,0,-1,2) |
| 43.47 | 2.0817 | 24.3 | (1,1,-2,0) |
| 43.47 | 2.0817 | 12.1 | (2,-1,-1,0) |
| 46.94 | 1.9357 | 23.9 | (1,0,-1,3) |
| 51.29 | 1.7812 | 7.0 | (1,1,-2,2) |
| 51.29 | 1.7812 | 3.5 | (2,-1,-1,2) |
| 52.47 | 1.7440 | 5.7 | (0,2,-2,1) |
| 52.47 | 1.7440 | 11.4 | (2,0,-2,1) |
| 53.23 | 1.7207 | 6.6 | (0,0,0,4) |
| 57.73 | 1.5969 | 4.0 | (0,2,-2,2) |
| 57.73 | 1.5969 | 8.0 | (2,0,-2,2) |
| 65.89 | 1.4175 | 2.8 | (0,2,-2,3) |
| 65.89 | 1.4175 | 5.7 | (2,0,-2,3) |
| 70.43 | 1.3368 | 4.7 | (1,2,-3,1) |
| 70.43 | 1.3368 | 4.7 | (2,1,-3,1) |
| 70.43 | 1.3368 | 4.7 | (3,-1,-2,1) |
| 71.08 | 1.3263 | 10.7 | (1,1,-2,4) |
| 71.08 | 1.3263 | 5.4 | (2,-1,-1,4) |
| 73.66 | 1.2860 | 6.1 | (1,0,-1,5) |
| 74.95 | 1.2671 | 3.6 | (1,2,-3,2) |
| 74.95 | 1.2671 | 3.6 | (2,1,-3,2) |
Energy Properties
Formation Energy/atom
-1.38861
eV/atom
Energy/atom
-6.12650
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.7354
eV/atom
Volume/atom
25.83
ų
c/a Ratio
1.6532
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
KVRH
62.614
GPa
GVRH
33.162
GPa
Young's Modulus E
84.558
GPa
Poisson Ratio ν
0.275
Pugh Ratio K/G
1.888
Vickers Hardness Est.
4.373
GPa
Ductility
Brittle
Anisotropy
1.656
Lame λ
40.506
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.6560
Homogeneous Poisson ν
0.2750
Debye Temperature
429.2
K
Sound Velocity
2,722.7
m/s
Homogeneity
0.2750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10026
Reference Citation
The crystal structure and related material properties of ScTe were obtained from the Materials Project database (MP-ID: mp-10026, 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_ScTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16335374
_cell_length_b 4.16335498
_cell_length_c 6.88287967
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999012
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTe
_chemical_formula_sum 'Sc2 Te2'
_cell_volume 103.32076342
_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
Sc Sc0 1 0.00000000 -0.00000000 0.00000000 1.0
Sc Sc1 1 0.00000000 -0.00000000 0.50000000 1.0
Te Te2 1 0.33333300 0.66666700 0.25000000 1.0
Te Te3 1 0.66666700 0.33333300 0.75000000 1.0
