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Mg32Al36Ag13

高熵材料 HEA 传统材料 TRA

MP-ID: mp-31506 · Space group: Im-3 (#204)

Materials Project API

Basic Information

Formula
Mg32Al36Ag13
MP-ID
mp-31506
Elements
3
Sites
81
Density
3.4080
g/cm³
Volume
1,535.50
ų
Cell a
12.5880
Å
Cell b
12.5880
Å
Cell c
12.5880
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3
Point Group
m-3
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
8.60 10.2781 4.1 (1,0,0)
14.93 5.9341 1.7 (1,1,0)
17.26 5.1390 8.1 (2,0,0)
19.31 4.5965 72.9 (2,1,-1)
21.17 4.1960 16.2 (1,1,1)
22.89 3.8848 42.7 (2,1,0)
24.50 3.6339 2.3 (2,2,-2)
26.01 3.4260 4.7 (3,0,0)
27.44 3.2502 2.7 (3,1,-1)
28.81 3.0990 3.8 (2,1,1)
30.12 2.9670 10.3 (2,2,0)
31.38 2.8506 13.1 (3,1,0)
33.78 2.6538 3.8 (3,2,-1)
36.03 2.4928 20.2 (2,2,1)
37.11 2.4226 44.7 (3,1,1)
38.17 2.3580 100.0 (3,2,0)
41.20 2.1913 1.9 (3,3,-1)
42.17 2.1431 45.0 (4,2,-1)
44.05 2.0556 33.6 (3,2,1)
44.97 2.0157 2.0 (5,1,-1)
45.88 1.9780 7.5 (4,1,1)
46.77 1.9424 1.2 (4,2,0)
47.65 1.9086 1.7 (5,2,-2)
49.37 1.8460 5.6 (4,3,-1)
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Energy Properties

Formation Energy/atom
-0.06107
eV/atom
Energy/atom
-2.82618
eV/atom
Energy above Hull
0.0209
eV/atom
Uncorrected Energy
-2.8262
eV/atom
Volume/atom
18.96
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0416
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.444
Element Family
N/A
Solute Fraction
0.556
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.646
Family
Al-rich Multi-Component
Matrix Element
Al · 0.444

Related Tasks

Related computation task IDs (2)
aaaceliz aaaceqbs

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-31506
Reference Citation

The crystal structure and related material properties of Mg32Al36Ag13 were obtained from the Materials Project database (MP-ID: mp-31506, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Mg32Al36Ag13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.58802219
_cell_length_b   12.58802219
_cell_length_c   12.58802219
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg32Al36Ag13
_chemical_formula_sum   'Mg32 Al36 Ag13'
_cell_volume   1535.50278574
_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
  Mg  Mg0  1  0.37582100  0.37582100  0.37582100  1.0
  Mg  Mg1  1  0.40282700  0.50000000  0.90282700  1.0
  Mg  Mg2  1  0.50000000  0.90282700  0.40282700  1.0
  Mg  Mg3  1  0.90282700  0.40282700  0.50000000  1.0
  Mg  Mg4  1  0.50000000  0.09717300  0.59717300  1.0
  Mg  Mg5  1  0.09717300  0.59717300  0.50000000  1.0
  Mg  Mg6  1  0.59717300  0.50000000  0.09717300  1.0
  Mg  Mg7  1  0.19733200  0.50000000  0.69733200  1.0
  Mg  Mg8  1  0.50000000  0.69733200  0.19733200  1.0
  Mg  Mg9  1  0.69733200  0.19733200  0.50000000  1.0
  Mg  Mg10  1  0.50000000  0.30266800  0.80266800  1.0
  Mg  Mg11  1  0.30266800  0.80266800  0.50000000  1.0
  Mg  Mg12  1  0.80266800  0.50000000  0.30266800  1.0
  Mg  Mg13  1  0.00000000  0.62417900  0.00000000  1.0
  Mg  Mg14  1  0.62417900  0.00000000  0.00000000  1.0
  Mg  Mg15  1  0.00000000  0.00000000  0.62417900  1.0
  Mg  Mg16  1  0.30510500  0.42150600  0.11640100  1.0
  Mg  Mg17  1  0.00000000  0.37582100  0.00000000  1.0
  Mg  Mg18  1  0.37582100  0.00000000  0.00000000  1.0
  Mg  Mg19  1  0.00000000  0.00000000  0.37582100  1.0
  Mg  Mg20  1  0.62417900  0.62417900  0.62417900  1.0
  Mg  Mg21  1  0.69489500  0.81129500  0.11640100  1.0
  Mg  Mg22  1  0.30510500  0.18870500  0.88359900  1.0
  Mg  Mg23  1  0.18870500  0.88359900  0.30510500  1.0
  Mg  Mg24  1  0.11640100  0.69489500  0.81129500  1.0
  Mg  Mg25  1  0.88359900  0.30510500  0.18870500  1.0
  Mg  Mg26  1  0.42150600  0.11640100  0.30510500  1.0
  Mg  Mg27  1  0.11640100  0.30510500  0.42150600  1.0
  Mg  Mg28  1  0.81129500  0.11640100  0.69489500  1.0
  Mg  Mg29  1  0.88359900  0.69489500  0.57849400  1.0
  Mg  Mg30  1  0.57849400  0.88359900  0.69489500  1.0
  Mg  Mg31  1  0.69489500  0.57849400  0.88359900  1.0
  Al  Al32  1  0.64976000  0.40613200  0.43557900  1.0
  Al  Al33  1  0.35024000  0.78581900  0.75637100  1.0
  Al  Al34  1  0.97055200  0.21418100  0.56442100  1.0
  Al  Al35  1  0.21418100  0.56442100  0.97055200  1.0
  Al  Al36  1  0.75637100  0.35024000  0.78581900  1.0
  Al  Al37  1  0.56442100  0.97055200  0.21418100  1.0
  Al  Al38  1  0.40613200  0.43557900  0.64976000  1.0
  Al  Al39  1  0.43557900  0.64976000  0.40613200  1.0
  Al  Al40  1  0.78581900  0.75637100  0.35024000  1.0
  Al  Al41  1  0.24362900  0.02944800  0.59386800  1.0
  Al  Al42  1  0.59386800  0.24362900  0.02944800  1.0
  Al  Al43  1  0.02944800  0.59386800  0.24362900  1.0
  Al  Al44  1  0.35024000  0.59386800  0.56442100  1.0
  Al  Al45  1  0.90149800  0.05937900  0.15788100  1.0
  Al  Al46  1  0.09850200  0.94062100  0.84211900  1.0
  Al  Al47  1  0.94062100  0.84211900  0.09850200  1.0
  Al  Al48  1  0.15788100  0.90149800  0.05937900  1.0
  Al  Al49  1  0.84211900  0.09850200  0.94062100  1.0
  Al  Al50  1  0.25638300  0.15788100  0.09850200  1.0
  Al  Al51  1  0.15788100  0.09850200  0.25638300  1.0
  Al  Al52  1  0.05937900  0.15788100  0.90149800  1.0
  Al  Al53  1  0.84211900  0.90149800  0.74361700  1.0
  Al  Al54  1  0.74361700  0.84211900  0.90149800  1.0
  Al  Al55  1  0.90149800  0.74361700  0.84211900  1.0
  Al  Al56  1  0.09850200  0.25638300  0.15788100  1.0
  Al  Al57  1  0.97055200  0.40613200  0.75637100  1.0
  Al  Al58  1  0.40613200  0.75637100  0.97055200  1.0
  Al  Al59  1  0.75637100  0.97055200  0.40613200  1.0
  Al  Al60  1  0.64976000  0.21418100  0.24362900  1.0
  Al  Al61  1  0.56442100  0.35024000  0.59386800  1.0
  Al  Al62  1  0.59386800  0.56442100  0.35024000  1.0
  Al  Al63  1  0.43557900  0.02944800  0.78581900  1.0
  Al  Al64  1  0.24362900  0.64976000  0.21418100  1.0
  Al  Al65  1  0.78581900  0.43557900  0.02944800  1.0
  Al  Al66  1  0.02944800  0.78581900  0.43557900  1.0
  Al  Al67  1  0.21418100  0.24362900  0.64976000  1.0
  Ag  Ag68  1  0.17625300  0.49098700  0.31473400  1.0
  Ag  Ag69  1  0.82374700  0.13848200  0.31473400  1.0
  Ag  Ag70  1  0.17625300  0.86151800  0.68526600  1.0
  Ag  Ag71  1  0.86151800  0.68526600  0.17625300  1.0
  Ag  Ag72  1  0.31473400  0.82374700  0.13848200  1.0
  Ag  Ag73  1  0.68526600  0.17625300  0.86151800  1.0
  Ag  Ag74  1  0.49098700  0.31473400  0.17625300  1.0
  Ag  Ag75  1  0.31473400  0.17625300  0.49098700  1.0
  Ag  Ag76  1  0.13848200  0.31473400  0.82374700  1.0
  Ag  Ag77  1  0.68526600  0.82374700  0.50901300  1.0
  Ag  Ag78  1  0.50901300  0.68526600  0.82374700  1.0
  Ag  Ag79  1  0.82374700  0.50901300  0.68526600  1.0
  Ag  Ag80  1  0.00000000  0.00000000  0.00000000  1.0
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