LaCoTe
弹性数据 ELAMP-ID: mp-961695 · Space group: F-43m (#216)
Basic Information
Formula
LaCoTe
MP-ID
mp-961695
Elements
3
Sites
3
Density
7.5766
g/cm³
Volume
71.33
ų
Cell a
4.6550
Å
Cell b
4.6550
Å
Cell c
4.6550
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.41 | 3.8008 | 9.9 | (1,1,1) |
| 27.09 | 3.2916 | 48.6 | (1,1,0) |
| 38.69 | 2.3275 | 100.0 | (2,1,1) |
| 45.71 | 1.9849 | 4.7 | (2,2,1) |
| 47.87 | 1.9004 | 13.8 | (2,2,2) |
| 55.86 | 1.6458 | 16.8 | (2,2,0) |
| 61.39 | 1.5103 | 1.8 | (3,2,2) |
| 63.16 | 1.4720 | 18.3 | (3,2,1) |
| 70.02 | 1.3438 | 33.6 | (3,3,2) |
| 74.96 | 1.2669 | 1.3 | (3,3,3) |
| 82.97 | 1.1638 | 10.5 | (4,2,2) |
| 87.70 | 1.1128 | 1.3 | (4,3,2) |
| 89.28 | 1.0972 | 9.4 | (4,3,3) |
Energy Properties
Formation Energy/atom
-0.86841
eV/atom
Energy/atom
-5.93932
eV/atom
Energy above Hull
0.3346
eV/atom
Uncorrected Energy
-5.7987
eV/atom
Volume/atom
23.78
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.625
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
85.096
GPa
GVRH
22.703
GPa
Young's Modulus E
62.547
GPa
Poisson Ratio ν
0.377
Pugh Ratio K/G
3.748
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
13.771
Lame λ
69.961
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
13.7710
Homogeneous Poisson ν
0.3770
Debye Temperature
238.7
K
Sound Velocity
1,953.5
m/s
Homogeneity
0.3770
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-961695
Reference Citation
The crystal structure and related material properties of LaCoTe were obtained from the Materials Project database (MP-ID: mp-961695, 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_LaCoTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65499283
_cell_length_b 4.65499283
_cell_length_c 4.65499283
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaCoTe
_chemical_formula_sum 'La1 Co1 Te1'
_cell_volume 71.32504473
_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
La La0 1 0.00000000 0.00000000 0.00000000 1.0
Co Co1 1 0.25000000 0.25000000 0.25000000 1.0
Te Te2 1 0.50000000 0.50000000 0.50000000 1.0
