Ac2Mg
Traditional Materials TRAMP-ID: mp-985286 · Space group: I4/mmm (#139)
Basic Information
Formula
Ac2Mg
MP-ID
mp-985286
Elements
2
Sites
3
Density
6.7916
g/cm³
Volume
116.94
ų
Cell a
4.1194
Å
Cell b
4.1194
Å
Cell c
7.4824
Å
α Angle
106.00
°
β Angle
106.00
°
γ Angle
89.94
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
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 |
|---|---|---|---|
| 12.85 | 6.8915 | 10.3 | (0,0,1) |
| 22.53 | 3.9469 | 25.0 | (1,0,0) |
| 22.53 | 3.9469 | 25.0 | (1,0,-1) |
| 25.86 | 3.4458 | 17.8 | (0,0,2) |
| 29.12 | 3.0671 | 100.0 | (1,0,1) |
| 30.68 | 2.9144 | 23.9 | (1,1,-1) |
| 30.71 | 2.9113 | 23.8 | (1,-1,0) |
| 33.38 | 2.6842 | 1.1 | (1,1,0) |
| 33.38 | 2.6842 | 1.1 | (1,1,-2) |
| 33.41 | 2.6818 | 2.3 | (1,-1,1) |
| 39.22 | 2.2972 | 8.7 | (0,0,3) |
| 40.54 | 2.2252 | 5.6 | (1,1,1) |
| 40.54 | 2.2252 | 5.6 | (1,1,-3) |
| 40.57 | 2.2238 | 11.2 | (1,-1,2) |
| 43.96 | 2.0597 | 18.2 | (2,0,-1) |
| 49.92 | 1.8268 | 6.3 | (2,1,-1) |
| 49.97 | 1.8253 | 6.3 | (2,-1,0) |
| 50.59 | 1.8041 | 4.2 | (1,1,2) |
| 50.59 | 1.8041 | 4.2 | (1,1,-4) |
| 50.62 | 1.8034 | 8.4 | (1,-1,3) |
| 51.44 | 1.7765 | 8.2 | (1,0,3) |
| 51.44 | 1.7765 | 8.2 | (1,0,-4) |
| 51.71 | 1.7679 | 5.7 | (2,0,1) |
| 51.71 | 1.7679 | 5.7 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.00700
eV/atom
Energy/atom
-3.29794
eV/atom
Energy above Hull
0.0329
eV/atom
Uncorrected Energy
-47.2018
eV/atom
Volume/atom
38.98
ų
c/a Ratio
1.8164
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5517
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.004720
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.681
Family
Binary Alloy
Matrix Element
Ac · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-985286
Reference Citation
The crystal structure and related material properties of Ac2Mg were obtained from the Materials Project database (MP-ID: mp-985286, 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_Ac2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11938689
_cell_length_b 4.11938689
_cell_length_c 7.48241620
_cell_angle_alpha 105.99553754
_cell_angle_beta 105.99553754
_cell_angle_gamma 89.93933044
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac2Mg
_chemical_formula_sum 'Ac2 Mg1'
_cell_volume 116.94436002
_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 0.09935461 0.09935561 0.03204322 1.0
Ac Ac1 1 0.40064539 0.40064639 0.63462378 1.0
Mg Mg2 1 0.75000000 0.75000100 0.33333400 1.0
