AcLa
Traditional Materials TRAMP-ID: mp-1183049 · Space group: P-6m2 (#187)
Basic Information
Formula
AcLa
MP-ID
mp-1183049
Elements
2
Sites
2
Density
7.1736
g/cm³
Volume
84.70
ų
Cell a
3.9906
Å
Cell b
3.9906
Å
Cell c
6.1414
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 |
|---|---|---|---|
| 14.42 | 6.1414 | 5.9 | (0,0,0,1) |
| 25.78 | 3.4560 | 27.0 | (1,0,-1,0) |
| 29.08 | 3.0707 | 23.0 | (0,0,0,2) |
| 29.66 | 3.0118 | 100.0 | (1,0,-1,1) |
| 39.25 | 2.2955 | 6.1 | (1,-1,0,2) |
| 39.25 | 2.2955 | 12.1 | (1,0,-1,2) |
| 45.46 | 1.9953 | 13.8 | (2,-1,-1,0) |
| 45.46 | 1.9953 | 6.9 | (1,1,-2,0) |
| 47.94 | 1.8977 | 1.4 | (2,-1,-1,1) |
| 51.91 | 1.7613 | 21.5 | (1,0,-1,3) |
| 52.99 | 1.7280 | 1.3 | (2,-2,0,0) |
| 52.99 | 1.7280 | 2.6 | (2,0,-2,0) |
| 54.87 | 1.6731 | 15.9 | (2,-1,-1,2) |
| 54.87 | 1.6731 | 8.0 | (1,1,-2,2) |
| 55.22 | 1.6634 | 6.0 | (2,-2,0,1) |
| 55.22 | 1.6634 | 11.9 | (2,0,-2,1) |
| 60.28 | 1.5354 | 3.0 | (0,0,0,4) |
| 61.58 | 1.5059 | 1.7 | (2,-2,0,2) |
| 61.58 | 1.5059 | 3.3 | (2,0,-2,2) |
| 66.66 | 1.4031 | 4.0 | (1,0,-1,4) |
| 71.44 | 1.3205 | 2.8 | (2,-2,0,3) |
| 71.44 | 1.3205 | 5.6 | (2,0,-2,3) |
| 72.34 | 1.3062 | 1.0 | (3,-2,-1,0) |
| 72.34 | 1.3062 | 1.0 | (3,-1,-2,0) |
Energy Properties
Formation Energy/atom
0.03203
eV/atom
Energy/atom
-49.15910
eV/atom
Energy above Hull
0.0320
eV/atom
Uncorrected Energy
-49.1591
eV/atom
Volume/atom
42.35
ų
c/a Ratio
1.5390
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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
Ac · 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
0.603
Family
Binary Alloy
Matrix Element
Ac · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183049
Reference Citation
The crystal structure and related material properties of AcLa were obtained from the Materials Project database (MP-ID: mp-1183049, 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_AcLa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99061899
_cell_length_b 3.99061899
_cell_length_c 6.14140068
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001349
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcLa
_chemical_formula_sum 'Ac1 La1'
_cell_volume 84.69904936
_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
Ac Ac0 1 0.00000000 -0.00000000 0.50000000 1.0
La La1 1 0.66666700 0.33333300 -0.00000000 1.0
