AcMg3
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-984785 · Space group: Fm-3m (#225)
Basic Information
Formula
AcMg3
MP-ID
mp-984785
Elements
2
Sites
4
Density
4.3647
g/cm³
Volume
114.10
ų
Cell a
5.4422
Å
Cell b
5.4422
Å
Cell c
5.4422
Å
α Angle
119.93
°
β Angle
119.93
°
γ Angle
90.13
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 |
|---|---|---|---|
| 19.97 | 4.4452 | 100.0 | (1,0,0) |
| 23.09 | 3.8525 | 35.7 | (0,0,1) |
| 23.14 | 3.8439 | 17.8 | (1,1,-1) |
| 32.88 | 2.7241 | 35.2 | (1,-1,1) |
| 32.92 | 2.7211 | 70.1 | (1,1,0) |
| 38.77 | 2.3227 | 38.7 | (1,0,1) |
| 38.83 | 2.3189 | 19.3 | (2,1,-1) |
| 40.59 | 2.2226 | 17.1 | (2,0,0) |
| 47.18 | 1.9263 | 12.9 | (0,0,2) |
| 47.30 | 1.9220 | 6.4 | (2,2,-2) |
| 51.72 | 1.7675 | 8.7 | (2,-1,1) |
| 51.77 | 1.7658 | 17.3 | (2,1,0) |
| 53.16 | 1.7229 | 8.0 | (1,-1,2) |
| 53.19 | 1.7221 | 8.0 | (1,1,1) |
| 53.26 | 1.7198 | 8.0 | (2,2,-1) |
| 58.73 | 1.5722 | 27.0 | (2,0,1) |
| 58.80 | 1.5704 | 13.5 | (3,1,-1) |
| 62.66 | 1.4827 | 9.9 | (1,0,2) |
| 62.70 | 1.4817 | 5.0 | (3,0,0) |
| 62.80 | 1.4798 | 4.9 | (3,2,-2) |
| 68.94 | 1.3621 | 4.2 | (2,-2,2) |
| 69.03 | 1.3606 | 8.3 | (2,2,0) |
| 72.59 | 1.3023 | 6.5 | (2,-1,2) |
| 72.64 | 1.3016 | 6.5 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.03155
eV/atom
Energy/atom
-2.28469
eV/atom
Energy above Hull
0.0103
eV/atom
Uncorrected Energy
-20.3492
eV/atom
Volume/atom
28.53
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
34.101
GPa
GVRH
17.525
GPa
Young's Modulus E
44.886
GPa
Poisson Ratio ν
0.281
Pugh Ratio K/G
1.946
Vickers Hardness Est.
1.901
GPa
Ductility
Brittle
Anisotropy
0.745
Lame λ
22.418
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 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
0.799
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7450
Homogeneous Poisson ν
0.2810
Debye Temperature
348.5
K
Sound Velocity
2,232.8
m/s
Homogeneity
0.2810
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-984785
Reference Citation
The crystal structure and related material properties of AcMg3 were obtained from the Materials Project database (MP-ID: mp-984785, 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_AcMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44220778
_cell_length_b 5.44220778
_cell_length_c 5.44220778
_cell_angle_alpha 119.92621941
_cell_angle_beta 119.92621941
_cell_angle_gamma 90.12783930
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcMg3
_chemical_formula_sum 'Ac1 Mg3'
_cell_volume 114.10199530
_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 -0.00000000 1.0
Mg Mg1 1 0.49999900 0.49999900 -0.00000000 1.0
Mg Mg2 1 0.75000100 0.25000100 0.50000000 1.0
Mg Mg3 1 0.25000100 0.75000100 0.50000000 1.0
