AlAg2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-985805 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

AlAg2

MP-ID

mp-985805

Elements

Sites

Density

8.1709

g/cm³

Volume

98.65

Å³

Cell a

5.0071

Cell b

5.0071

Cell c

4.5849

α Angle

90.00

β Angle

90.00

γ Angle

120.88

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
20.39	4.3553	14.6	(1,-1,0,0)
20.67	4.2974	6.9	(1,0,-1,0)
28.47	3.1354	37.7	(1,0,-1,1)
35.87	2.5032	7.0	(2,-1,-1,0)
35.87	2.5032	7.0	(1,-2,1,0)
36.37	2.4702	19.7	(1,1,-2,0)
39.30	2.2924	34.2	(0,0,0,2)
41.08	2.1971	100.0	(2,-1,-1,1)
41.47	2.1777	5.8	(2,-2,0,0)
41.53	2.1747	31.3	(1,1,-2,1)
42.05	2.1487	2.3	(2,0,-2,0)
44.67	2.0286	3.8	(1,-1,0,2)
44.81	2.0226	1.8	(1,0,-1,2)
46.69	1.9456	1.6	(2,0,-2,1)
46.69	1.9456	1.6	(0,2,-2,1)
54.26	1.6906	8.1	(2,-1,-1,2)
54.62	1.6803	11.6	(1,1,-2,2)
56.32	1.6335	2.2	(3,-1,-2,0)
56.90	1.6182	2.5	(2,1,-3,0)
58.46	1.5789	3.9	(2,-2,0,2)
59.79	1.5467	1.2	(3,-2,-1,1)
60.13	1.5388	3.6	(3,-1,-2,1)
64.15	1.4518	7.2	(3,-3,0,0)
64.74	1.4399	3.3	(1,0,-1,3)

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Energy Properties

Formation Energy/atom

-0.05677

eV/atom

Energy/atom

-16.53805

eV/atom

Energy above Hull

0.0077

eV/atom

Uncorrected Energy

-16.5380

eV/atom

Volume/atom

16.44

Å³

c/a Ratio

0.9157

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

94.159

GPa

G_VRH

33.298

GPa

Young's Modulus E

89.360

GPa

Poisson Ratio ν

0.342

Pugh Ratio K/G

2.828

Vickers Hardness Est.

1.607

GPa

Ductility

Brittle

Anisotropy

0.382

Lame λ

71.960

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.862

Family

Binary Alloy

Matrix Element

Ag · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3820

Homogeneous Poisson ν

0.3420

Debye Temperature

265.4

Sound Velocity

2,267.2

m/s

Homogeneity

0.3420

Related Tasks

Related computation task IDs (5)

aaachfpr aaadwdyt aaaemrle aaaeqmuy aaafbmti

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-985805

Reference Citation

The crystal structure and related material properties of AlAg2 were obtained from the Materials Project database (MP-ID: mp-985805, 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…

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Raw CIF Data

# generated using pymatgen
data_AlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00705575
_cell_length_b   5.00705557
_cell_length_c   4.58486256
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.87801454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2
_chemical_formula_sum   'Al2 Ag4'
_cell_volume   98.65315793
_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
  Al  Al0  1  0.01089500  0.01089500  0.00000000  1.0
  Al  Al1  1  0.65583014  0.65583014  0.50000000  1.0
  Ag  Ag2  1  0.67970649  0.35770150  0.00000000  1.0
  Ag  Ag3  1  0.35770150  0.67970649  0.00000000  1.0
  Ag  Ag4  1  0.30910713  0.98709173  0.50000000  1.0
  Ag  Ag5  1  0.98709173  0.30910713  0.50000000  1.0

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