La
传统材料 TRAMP-ID: mp-10023 · Space group: Im-3m (#229)
Basic Information
Formula
La
MP-ID
mp-10023
Elements
1
Sites
1
Density
6.0193
g/cm³
Volume
38.32
ų
Cell a
3.6786
Å
Cell b
3.6786
Å
Cell c
3.6786
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.75 | 3.0036 | 100.0 | (1,-1,0) |
| 29.75 | 3.0036 | 100.0 | (1,0,-1) |
| 42.57 | 2.1238 | 12.5 | (1,-1,1) |
| 42.57 | 2.1238 | 25.1 | (1,1,-1) |
| 52.79 | 1.7341 | 6.7 | (2,-1,0) |
| 52.79 | 1.7341 | 53.3 | (2,0,-1) |
| 52.79 | 1.7341 | 20.0 | (1,0,-2) |
| 61.77 | 1.5018 | 8.3 | (2,-2,0) |
| 61.77 | 1.5018 | 4.1 | (0,2,0) |
| 61.77 | 1.5018 | 4.1 | (2,0,-2) |
| 61.77 | 1.5018 | 8.3 | (0,2,-2) |
| 70.05 | 1.3432 | 17.0 | (2,-2,1) |
| 70.05 | 1.3432 | 17.0 | (2,1,-2) |
| 77.91 | 1.2262 | 6.3 | (3,-1,-1) |
| 77.91 | 1.2262 | 2.1 | (1,1,-3) |
| 85.54 | 1.1352 | 10.1 | (3,-2,0) |
| 85.54 | 1.1352 | 10.1 | (1,-3,0) |
| 85.54 | 1.1352 | 10.1 | (3,0,-2) |
| 85.54 | 1.1352 | 10.1 | (2,1,-3) |
Energy Properties
Formation Energy/atom
0.10422
eV/atom
Energy/atom
-29.64056
eV/atom
Energy above Hull
0.1042
eV/atom
Uncorrected Energy
-29.6406
eV/atom
Volume/atom
38.32
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
0.6073
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.015850
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.503
Family
Pure Metal
Matrix Element
La · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10023
Reference Citation
The crystal structure and related material properties of La were obtained from the Materials Project database (MP-ID: mp-10023, 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_La
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67858381
_cell_length_b 3.67858362
_cell_length_c 3.67858224
_cell_angle_alpha 109.47121304
_cell_angle_beta 109.47121200
_cell_angle_gamma 109.47123032
_symmetry_Int_Tables_number 1
_chemical_formula_structural La
_chemical_formula_sum La1
_cell_volume 38.31950599
_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
