AcLa3
Traditional Materials TRAMP-ID: mp-1183051 · Space group: P6_3/mmc (#194)
Basic Information
Formula
AcLa3
MP-ID
mp-1183051
Elements
2
Sites
8
Density
6.6385
g/cm³
Volume
322.04
ų
Cell a
7.7306
Å
Cell b
7.7306
Å
Cell c
6.2222
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.22 | 6.6949 | 1.1 | (1,0,-1,0) |
| 13.22 | 6.6949 | 2.2 | (1,-1,0,0) |
| 19.48 | 4.5577 | 5.5 | (1,0,-1,1) |
| 19.48 | 4.5577 | 11.0 | (1,-1,0,1) |
| 23.01 | 3.8653 | 4.4 | (2,-1,-1,0) |
| 23.01 | 3.8653 | 2.2 | (1,-2,1,0) |
| 26.63 | 3.3475 | 23.2 | (2,0,-2,0) |
| 26.63 | 3.3475 | 23.2 | (2,-2,0,0) |
| 26.63 | 3.3475 | 23.2 | (0,2,-2,0) |
| 28.69 | 3.1111 | 77.0 | (0,0,0,2) |
| 30.32 | 2.9479 | 100.0 | (2,0,-2,1) |
| 30.32 | 2.9479 | 100.0 | (2,-2,0,1) |
| 30.32 | 2.9479 | 100.0 | (0,2,-2,1) |
| 37.10 | 2.4236 | 2.8 | (2,-1,-1,2) |
| 37.10 | 2.4236 | 1.4 | (1,-2,1,2) |
| 38.40 | 2.3440 | 1.4 | (3,-1,-2,1) |
| 38.40 | 2.3440 | 1.4 | (3,-2,-1,1) |
| 38.40 | 2.3440 | 1.4 | (2,-3,1,1) |
| 39.55 | 2.2789 | 16.3 | (2,0,-2,2) |
| 39.55 | 2.2789 | 32.7 | (2,-2,0,2) |
| 40.42 | 2.2316 | 1.1 | (3,-3,0,0) |
| 45.80 | 1.9812 | 2.0 | (1,0,-1,3) |
| 47.02 | 1.9327 | 39.9 | (4,-2,-2,0) |
| 47.02 | 1.9327 | 19.9 | (2,-4,2,0) |
Energy Properties
Formation Energy/atom
0.03262
eV/atom
Energy/atom
-39.43533
eV/atom
Energy above Hull
0.0326
eV/atom
Uncorrected Energy
-39.4353
eV/atom
Volume/atom
40.25
ų
c/a Ratio
0.8049
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.7789
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.002420
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.620
Family
Binary Alloy
Matrix Element
La · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183051
Reference Citation
The crystal structure and related material properties of AcLa3 were obtained from the Materials Project database (MP-ID: mp-1183051, 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_AcLa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73063753
_cell_length_b 7.73063242
_cell_length_c 6.22217332
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998190
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcLa3
_chemical_formula_sum 'Ac2 La6'
_cell_volume 322.03505535
_cell_formula_units_Z 2
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
Ac Ac0 1 0.33333300 0.66666700 0.75000000 1.0
Ac Ac1 1 0.66666700 0.33333300 0.25000000 1.0
La La2 1 0.16376980 0.32753960 0.25000000 1.0
La La3 1 0.67246040 0.83623020 0.25000000 1.0
La La4 1 0.16376980 0.83623020 0.25000000 1.0
La La5 1 0.83623020 0.67246140 0.75000000 1.0
La La6 1 0.32753960 0.16376980 0.75000000 1.0
La La7 1 0.83623020 0.16376980 0.75000000 1.0
