RbAgO2

弹性数据 ELA

MP-ID: mp-997084 · Space group: Pmmm (#47)

Materials Project API

Basic Information

Formula

RbAgO2

MP-ID

mp-997084

Elements

Sites

Density

5.0375

g/cm³

Volume

74.28

Å³

Cell a

3.1070

Cell b

3.9441

Cell c

6.0615

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmmm

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
14.61	6.0615	5.2	(0,0,1)
22.54	3.9441	7.1	(0,1,0)
26.97	3.3059	100.0	(0,1,1)
28.73	3.1070	27.2	(1,0,0)
29.47	3.0307	26.1	(0,0,2)
39.82	2.2640	61.4	(1,1,1)
41.63	2.1695	37.7	(1,0,2)
46.02	1.9720	14.1	(0,2,0)
47.85	1.9009	2.8	(1,1,2)
50.77	1.7983	13.4	(0,1,3)
55.16	1.6650	8.9	(1,2,0)
55.60	1.6529	8.9	(0,2,2)
59.38	1.5564	22.0	(1,1,3)
59.50	1.5535	6.2	(2,0,0)
61.16	1.5154	5.3	(0,0,4)
63.78	1.4593	19.5	(1,2,2)
66.50	1.4060	14.2	(2,1,1)
67.79	1.3825	5.0	(2,0,2)
68.95	1.3620	5.0	(1,0,4)
73.74	1.2848	5.2	(0,3,1)
78.36	1.2203	5.3	(2,2,0)
79.82	1.2016	4.8	(0,2,4)
80.98	1.1873	7.5	(1,3,1)
81.96	1.1756	6.7	(2,1,3)

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Energy Properties

Formation Energy/atom

-0.96083

eV/atom

Energy/atom

-4.39068

eV/atom

Energy above Hull

0.0485

eV/atom

Uncorrected Energy

-4.0472

eV/atom

Volume/atom

18.57

Å³

c/a Ratio

1.9509

Electronic Properties

Metallic

Non-metal

Band Gap

0.681

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

40.617

GPa

G_VRH

18.339

GPa

Young's Modulus E

47.820

GPa

Poisson Ratio ν

0.304

Pugh Ratio K/G

2.215

Vickers Hardness Est.

1.326

GPa

Ductility

Brittle

Anisotropy

5.484

Lame λ

28.391

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

5.4840

Homogeneous Poisson ν

0.3040

Debye Temperature

306.4

Sound Velocity

2,132.2

m/s

Homogeneity

0.3040

Related Tasks

Related computation task IDs (5)

aaadnvjo aaadwmte aaadylbp aaaeoqyj aaafjbsd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-997084

Reference Citation

The crystal structure and related material properties of RbAgO2 were obtained from the Materials Project database (MP-ID: mp-997084, 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_RbAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10698000
_cell_length_b   3.94405000
_cell_length_c   6.06149000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAgO2
_chemical_formula_sum   'Rb1 Ag1 O2'
_cell_volume   74.27801047
_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
  Rb  Rb0  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag1  1  0.50000000  0.00000000  0.00000000  1.0
  O  O2  1  0.00000000  0.00000000  0.22173000  1.0
  O  O3  1  0.00000000  0.00000000  0.77827000  1.0

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