La5Ga3
Traditional Materials TRAMP-ID: mp-672217 · Space group: P4/ncc (#130)
Basic Information
Formula
La5Ga3
MP-ID
mp-672217
Elements
2
Sites
32
Density
6.2456
g/cm³
Volume
961.07
ų
Cell a
8.0544
Å
Cell b
8.0541
Å
Cell c
14.8152
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/ncc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 11.95 | 7.4076 | 5.1 | (0,0,2) |
| 16.26 | 5.4523 | 1.6 | (1,0,2) |
| 16.26 | 5.4522 | 1.6 | (0,1,2) |
| 22.07 | 4.0272 | 3.8 | (2,0,0) |
| 22.07 | 4.0270 | 3.8 | (0,2,0) |
| 24.03 | 3.7038 | 11.6 | (0,0,4) |
| 25.17 | 3.5381 | 17.4 | (2,0,2) |
| 25.17 | 3.5380 | 17.4 | (0,2,2) |
| 25.45 | 3.5001 | 14.7 | (2,1,1) |
| 25.45 | 3.5000 | 14.7 | (2,-1,1) |
| 25.45 | 3.5000 | 14.7 | (1,2,1) |
| 25.45 | 3.4999 | 14.7 | (1,-2,1) |
| 26.49 | 3.3651 | 10.2 | (1,0,4) |
| 26.49 | 3.3650 | 10.2 | (0,1,4) |
| 27.54 | 3.2394 | 8.4 | (2,1,2) |
| 27.54 | 3.2393 | 8.5 | (2,-1,2) |
| 27.54 | 3.2393 | 8.5 | (1,2,2) |
| 27.54 | 3.2393 | 8.4 | (1,-2,2) |
| 28.75 | 3.1050 | 16.1 | (1,1,4) |
| 28.75 | 3.1049 | 16.1 | (1,-1,4) |
| 30.72 | 2.9102 | 100.0 | (2,1,3) |
| 30.72 | 2.9101 | 100.0 | (2,-1,3) |
| 30.72 | 2.9101 | 100.0 | (1,2,3) |
| 30.72 | 2.9101 | 100.0 | (1,-2,3) |
Energy Properties
Formation Energy/atom
-0.56255
eV/atom
Energy/atom
-23.44408
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.4441
eV/atom
Volume/atom
30.03
ų
c/a Ratio
1.8394
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8025
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.003960
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
La · 0.625
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-672217
Reference Citation
The crystal structure and related material properties of La5Ga3 were obtained from the Materials Project database (MP-ID: mp-672217, 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_La5Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05441431
_cell_length_b 8.05407199
_cell_length_c 14.81515428
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.99904847
_symmetry_Int_Tables_number 1
_chemical_formula_structural La5Ga3
_chemical_formula_sum 'La20 Ga12'
_cell_volume 961.07139451
_cell_formula_units_Z 4
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 0.25000000 0.25000000 0.78654015 1.0
La La1 1 0.08890103 0.56347263 0.10326192 1.0
La La2 1 0.58890103 0.06347263 0.89673808 1.0
La La3 1 0.75000000 0.75000000 0.21345985 1.0
La La4 1 0.58885590 0.43659007 0.39685649 1.0
La La5 1 0.91109897 0.43652737 0.89673808 1.0
La La6 1 0.41109897 0.93652737 0.10326192 1.0
La La7 1 0.75000000 0.75000000 0.71342990 1.0
La La8 1 0.56341619 0.08885279 0.60313787 1.0
La La9 1 0.06341619 0.58885279 0.39686213 1.0
La La10 1 0.93652843 0.08891546 0.10325018 1.0
La La11 1 0.93658381 0.41114721 0.60313787 1.0
La La12 1 0.56347157 0.41108454 0.10325018 1.0
La La13 1 0.08885590 0.93659007 0.60314351 1.0
La La14 1 0.25000000 0.25000000 0.28657010 1.0
La La15 1 0.43652843 0.58891546 0.89674982 1.0
La La16 1 0.41114410 0.56340993 0.60314351 1.0
La La17 1 0.06347157 0.91108454 0.89674982 1.0
La La18 1 0.91114410 0.06340993 0.39685649 1.0
La La19 1 0.43658381 0.91114721 0.39686213 1.0
Ga Ga20 1 0.36617121 0.63386414 0.25014196 1.0
Ga Ga21 1 0.63382879 0.36613586 0.74985804 1.0
Ga Ga22 1 0.25000000 0.25000000 0.49621686 1.0
Ga Ga23 1 0.63387218 0.13384105 0.25013957 1.0
Ga Ga24 1 0.75000000 0.75000000 0.00375894 1.0
Ga Ga25 1 0.86617121 0.13386414 0.74985804 1.0
Ga Ga26 1 0.13387218 0.63384105 0.74986043 1.0
Ga Ga27 1 0.86612782 0.36615895 0.25013957 1.0
Ga Ga28 1 0.13382879 0.86613586 0.25014196 1.0
Ga Ga29 1 0.36612782 0.86615895 0.74986043 1.0
Ga Ga30 1 0.25000000 0.25000000 0.99624106 1.0
Ga Ga31 1 0.75000000 0.75000000 0.50378314 1.0
