LaSb
Traditional Materials TRAMP-ID: mp-10177 · Space group: P4/mmm (#123)
Basic Information
Formula
LaSb
MP-ID
mp-10177
Elements
2
Sites
2
Density
7.1028
g/cm³
Volume
60.94
ų
Cell a
4.1705
Å
Cell b
4.1705
Å
Cell c
3.5037
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 30.31 | 2.9490 | 64.7 | (1,1,0) |
| 33.40 | 2.6827 | 100.0 | (1,0,1) |
| 43.39 | 2.0853 | 24.1 | (2,0,0) |
| 52.22 | 1.7519 | 7.0 | (0,0,2) |
| 55.84 | 1.6464 | 45.4 | (2,1,1) |
| 61.57 | 1.5061 | 16.8 | (1,1,2) |
| 63.05 | 1.4745 | 7.8 | (2,2,0) |
| 70.16 | 1.3413 | 11.4 | (2,0,2) |
| 71.54 | 1.3188 | 10.7 | (3,1,0) |
| 73.25 | 1.2922 | 10.0 | (3,0,1) |
| 86.22 | 1.1281 | 6.7 | (2,2,2) |
| 86.55 | 1.1246 | 6.6 | (1,0,3) |
| 89.15 | 1.0984 | 12.5 | (3,2,1) |
Energy Properties
Formation Energy/atom
-1.31382
eV/atom
Energy/atom
-29.03937
eV/atom
Energy above Hull
0.2164
eV/atom
Uncorrected Energy
-5.5833
eV/atom
Volume/atom
30.47
ų
c/a Ratio
0.8401
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 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
0.480
Family
Binary Alloy
Matrix Element
La · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10177
Reference Citation
The crystal structure and related material properties of LaSb were obtained from the Materials Project database (MP-ID: mp-10177, 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_LaSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17049600
_cell_length_b 4.17049600
_cell_length_c 3.50370700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSb
_chemical_formula_sum 'La1 Sb1'
_cell_volume 60.94010509
_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
Sb Sb1 1 0.50000000 0.50000000 0.50000000 1.0
