SrAuO2

Elasticity Data ELA

MP-ID: mp-997094 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

SrAuO2

MP-ID

mp-997094

Elements

Sites

Density

8.0169

g/cm³

Volume

131.15

Å³

Cell a

6.1378

Cell b

6.1378

Cell c

3.6716

α Angle

89.98

β Angle

89.98

γ Angle

108.53

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
17.80	4.9821	29.3	(1,-1,0)
24.24	3.6716	18.2	(0,0,1)
24.84	3.5848	13.2	(1,1,0)
30.24	2.9557	100.0	(1,-1,1)
30.73	2.9098	86.0	(2,0,0)
34.97	2.5657	44.2	(1,1,1)
34.99	2.5643	44.4	(1,1,-1)
36.06	2.4910	42.2	(2,-2,0)
39.51	2.2810	6.7	(2,0,1)
39.53	2.2800	6.8	(2,0,-1)
43.92	2.0614	6.8	(2,-2,1)
44.28	2.0456	5.3	(3,-1,0)
49.66	1.8358	14.5	(0,0,2)
50.95	1.7924	16.2	(2,2,0)
51.11	1.7872	28.2	(3,-1,1)
51.12	1.7868	28.4	(3,-1,-1)
53.17	1.7226	2.2	(1,-1,2)
54.40	1.6866	3.5	(3,1,0)
55.32	1.6607	2.1	(3,-3,0)
56.29	1.6344	2.3	(1,1,2)
56.32	1.6336	2.3	(1,1,-2)
57.18	1.6111	1.8	(2,2,1)
57.20	1.6104	1.8	(2,2,-1)
59.53	1.5529	17.0	(2,0,2)

Get direct link

Energy Properties

Formation Energy/atom

-1.86368

eV/atom

Energy/atom

-5.57924

eV/atom

Energy above Hull

0.0318

eV/atom

Uncorrected Energy

-5.2357

eV/atom

Volume/atom

16.39

Å³

c/a Ratio

0.5982

Electronic Properties

Metallic

Non-metal

Band Gap

1.436

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

80.847

GPa

G_VRH

32.871

GPa

Young's Modulus E

86.843

GPa

Poisson Ratio ν

0.321

Pugh Ratio K/G

2.460

Vickers Hardness Est.

2.384

GPa

Ductility

Brittle

Anisotropy

0.778

Lame λ

58.933

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

0.7780

Homogeneous Poisson ν

0.3210

Debye Temperature

311.3

Sound Velocity

2,267.9

m/s

Homogeneity

0.3210

Related Tasks

Related computation task IDs (5)

aaadoefn aaadvvrd aaaefylx aaaepcsr aaafbays

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-997094

Reference Citation

The crystal structure and related material properties of SrAuO2 were obtained from the Materials Project database (MP-ID: mp-997094, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_SrAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13774538
_cell_length_b   6.13774538
_cell_length_c   3.67159854
_cell_angle_alpha   89.98187146
_cell_angle_beta   89.98187146
_cell_angle_gamma   108.52619295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAuO2
_chemical_formula_sum   'Sr2 Au2 O4'
_cell_volume   131.14839021
_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
  Sr  Sr0  1  0.00000000  0.50000000  0.00000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.00000000  1.0
  Au  Au2  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.29285600  0.70714400  0.50000000  1.0
  O  O5  1  0.70714400  0.29285600  0.50000000  1.0
  O  O6  1  0.75191900  0.75191900  0.22327900  1.0
  O  O7  1  0.24808100  0.24808100  0.77672100  1.0

Get direct link