AgRhO2

弹性数据 ELA

MP-ID: mp-1018033 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

AgRhO2

MP-ID

mp-1018033

Elements

Sites

Density

7.5583

g/cm³

Volume

53.34

Å³

Cell a

6.5841

Cell b

6.5841

Cell c

6.5841

α Angle

27.40

β Angle

27.40

γ Angle

27.40

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
13.98	6.3331	1.9	(1,1,1)
28.18	3.1666	71.1	(2,2,2)
33.52	2.6738	3.5	(1,0,0)
34.53	2.5977	100.0	(1,0,1)
34.53	2.5977	50.0	(1,1,0)
38.34	2.3477	78.6	(2,1,1)
51.22	1.7834	37.0	(3,2,3)
51.22	1.7834	18.5	(3,3,2)
58.28	1.5833	8.5	(4,4,4)
59.26	1.5592	12.1	(1,-1,0)
59.26	1.5592	24.1	(1,0,-1)
59.49	1.5539	11.1	(3,3,4)
59.49	1.5539	22.2	(4,3,3)
66.89	1.3988	11.8	(2,1,3)
66.89	1.3988	11.8	(3,1,2)
66.89	1.3988	11.8	(3,2,1)
70.43	1.3369	17.3	(2,0,0)
72.82	1.2989	8.1	(2,0,2)
72.82	1.2989	4.0	(2,2,0)
78.95	1.2126	6.7	(5,4,5)
78.95	1.2126	3.3	(5,5,4)
82.10	1.1739	4.4	(2,2,4)
82.10	1.1739	8.7	(4,2,2)
87.88	1.1109	5.6	(4,3,5)

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Energy Properties

Formation Energy/atom

-0.87396

eV/atom

Energy/atom

-5.89975

eV/atom

Energy above Hull

0.0403

eV/atom

Uncorrected Energy

-5.5563

eV/atom

Volume/atom

13.33

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.495

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

K_VRH

141.419

GPa

G_VRH

37.018

GPa

Young's Modulus E

102.142

GPa

Poisson Ratio ν

0.380

Pugh Ratio K/G

3.820

Vickers Hardness Est.

0.447

GPa

Ductility

Brittle

Anisotropy

2.744

Lame λ

116.740

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.7440

Homogeneous Poisson ν

0.3800

Debye Temperature

328.7

Sound Velocity

2,498.2

m/s

Homogeneity

0.3800

Related Tasks

Related computation task IDs (5)

aaacisti aaadyatt aaaeunfj aaafaslf aaafssfu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018033

Reference Citation

The crystal structure and related material properties of AgRhO2 were obtained from the Materials Project database (MP-ID: mp-1018033, 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_AgRhO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58407022
_cell_length_b   6.58407022
_cell_length_c   6.58407100
_cell_angle_alpha   27.39746964
_cell_angle_beta   27.39746964
_cell_angle_gamma   27.39747439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRhO2
_chemical_formula_sum   'Ag1 Rh1 O2'
_cell_volume   53.33620447
_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
  Ag  Ag0  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.88697500  0.88697500  0.88697500  1.0
  O  O3  1  0.11302500  0.11302500  0.11302500  1.0

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