AlAgO2

Elasticity Data ELA

MP-ID: mp-9631 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

AlAgO2

MP-ID

mp-9631

Elements

Sites

Density

6.3069

g/cm³

Volume

87.86

Å³

Cell a

2.8779

Cell b

2.8779

Cell c

12.2493

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.46	6.1247	78.4	(0,0,0,2)
29.16	3.0623	61.5	(0,0,0,4)
36.04	2.4923	4.5	(0,1,-1,0)
36.04	2.4923	9.1	(1,0,-1,0)
36.80	2.4423	100.0	(1,-1,0,1)
36.80	2.4423	50.0	(1,0,-1,1)
39.02	2.3085	37.9	(1,-1,0,2)
39.02	2.3085	18.9	(1,0,-1,2)
42.49	2.1273	13.2	(0,1,-1,3)
42.49	2.1273	26.5	(1,0,-1,3)
44.37	2.0416	15.8	(0,0,0,6)
47.01	1.9330	1.1	(0,1,-1,4)
47.01	1.9330	2.2	(1,0,-1,4)
52.37	1.7471	36.3	(1,-1,0,5)
52.37	1.7471	18.2	(1,0,-1,5)
58.44	1.5793	18.8	(1,-1,0,6)
58.44	1.5793	9.4	(1,0,-1,6)
60.46	1.5312	6.5	(0,0,0,8)
64.79	1.4389	9.9	(1,-2,1,0)
64.79	1.4389	9.9	(1,1,-2,0)
64.79	1.4389	9.9	(2,-1,-1,0)
65.14	1.4322	22.8	(1,0,-1,7)
66.78	1.4008	3.2	(1,-2,1,2)
66.78	1.4008	3.2	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

-2.30488

eV/atom

Energy/atom

-6.42599

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.2247

eV/atom

Volume/atom

10.98

Å³

c/a Ratio

4.2564

Electronic Properties

Metallic

Non-metal

Band Gap

1.416

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

154.008

GPa

G_VRH

59.765

GPa

Young's Modulus E

158.759

GPa

Poisson Ratio ν

0.328

Pugh Ratio K/G

2.577

Vickers Hardness Est.

4.232

GPa

Ductility

Brittle

Anisotropy

5.696

Lame λ

114.165

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

5.6960

Homogeneous Poisson ν

0.3280

Debye Temperature

496.1

Sound Velocity

3,451.0

m/s

Homogeneity

0.3280

Related Tasks

Related computation task IDs (7)

aaabndck aaacmymv aaaemaza aaaenhah aaaezzqo aaafxgzp aaagbnxd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9631

Reference Citation

The crystal structure and related material properties of AlAgO2 were obtained from the Materials Project database (MP-ID: mp-9631, 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_AlAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87786429
_cell_length_b   2.87786510
_cell_length_c   12.24930776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgO2
_chemical_formula_sum   'Al2 Ag2 O4'
_cell_volume   87.85832336
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.00000000  0.00000000  0.50000000  1.0
  Ag  Ag2  1  0.66666700  0.33333300  0.75000000  1.0
  Ag  Ag3  1  0.33333300  0.66666700  0.25000000  1.0
  O  O4  1  0.33333300  0.66666700  0.42217883  1.0
  O  O5  1  0.66666700  0.33333300  0.92217883  1.0
  O  O6  1  0.33333300  0.66666700  0.07782117  1.0
  O  O7  1  0.66666700  0.33333300  0.57782117  1.0

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