LaSe
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1008999 · Space group: Pm-3m (#221)
Basic Information
Formula
LaSe
MP-ID
mp-1008999
Elements
2
Sites
2
Density
7.0642
g/cm³
Volume
51.21
ų
Cell a
3.7136
Å
Cell b
3.7136
Å
Cell c
3.7136
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.96 | 3.7136 | 8.4 | (1,0,0) |
| 34.15 | 2.6259 | 100.0 | (1,1,0) |
| 42.15 | 2.1440 | 2.6 | (1,1,1) |
| 49.06 | 1.8568 | 17.8 | (2,0,0) |
| 55.32 | 1.6608 | 3.6 | (2,1,0) |
| 61.13 | 1.5161 | 36.6 | (2,1,1) |
| 71.91 | 1.3130 | 11.3 | (2,2,0) |
| 77.04 | 1.2379 | 1.7 | (2,2,1) |
| 82.06 | 1.1743 | 15.9 | (3,1,0) |
Energy Properties
Formation Energy/atom
-2.02068
eV/atom
Energy/atom
-24.04885
eV/atom
Energy above Hull
0.2433
eV/atom
Uncorrected Energy
-5.9670
eV/atom
Volume/atom
25.61
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5226
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.010200
μB/ų
Elastic Properties
KVRH
69.443
GPa
GVRH
38.027
GPa
Young's Modulus E
96.472
GPa
Poisson Ratio ν
0.268
Pugh Ratio K/G
1.826
Vickers Hardness Est.
5.306
GPa
Ductility
Brittle
Anisotropy
0.286
Lame λ
44.092
GPa
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
0.382
Family
Binary Alloy
Matrix Element
La · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2860
Homogeneous Poisson ν
0.2680
Debye Temperature
302.9
K
Sound Velocity
2,581.5
m/s
Homogeneity
0.2680
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008999
Reference Citation
The crystal structure and related material properties of LaSe were obtained from the Materials Project database (MP-ID: mp-1008999, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_LaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71357800
_cell_length_b 3.71357800
_cell_length_c 3.71357800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSe
_chemical_formula_sum 'La1 Se1'
_cell_volume 51.21269738
_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
Se Se1 1 0.50000000 0.50000000 0.50000000 1.0
