NaRhO2

Elasticity Data ELA

MP-ID: mp-8830 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

NaRhO2

MP-ID

mp-8830

Elements

Sites

Density

6.1186

g/cm³

Volume

42.85

Å³

Cell a

5.4004

Cell b

5.4004

Cell c

5.4004

α Angle

33.55

β Angle

33.55

γ Angle

33.55

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
17.42	5.0917	100.0	(1,1,1)
33.71	2.6585	27.2	(1,0,0)
33.71	2.6585	13.6	(0,0,1)
35.25	2.5458	21.0	(2,2,2)
35.26	2.5454	19.0	(1,0,1)
35.26	2.5454	37.9	(1,1,0)
40.94	2.2045	33.2	(1,2,1)
40.94	2.2045	66.4	(2,1,1)
44.80	2.0230	4.5	(2,1,2)
44.80	2.0230	9.0	(2,2,1)
54.03	1.6972	2.1	(3,3,3)
54.03	1.6971	5.8	(2,3,2)
54.03	1.6971	11.5	(3,2,2)
59.28	1.5589	18.8	(3,3,2)
59.28	1.5589	9.4	(2,3,3)
59.29	1.5587	20.9	(1,-1,0)
59.29	1.5587	10.5	(1,0,-1)
62.30	1.4904	9.0	(2,0,1)
62.30	1.4904	6.0	(2,1,0)
62.30	1.4904	3.0	(0,1,2)
69.97	1.3446	1.7	(1,-1,1)
69.97	1.3446	1.7	(1,-1,-1)
69.97	1.3446	1.7	(1,1,-1)
70.88	1.3295	6.5	(4,3,3)

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Energy Properties

Formation Energy/atom

-1.45917

eV/atom

Energy/atom

-6.10966

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.2873

eV/atom

Volume/atom

10.71

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

1.267

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

109.969

GPa

G_VRH

59.556

GPa

Young's Modulus E

151.346

GPa

Poisson Ratio ν

0.271

Pugh Ratio K/G

1.846

Vickers Hardness Est.

7.660

GPa

Ductility

Brittle

Anisotropy

0.891

Lame λ

70.265

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

0.8910

Homogeneous Poisson ν

0.2710

Debye Temperature

505.6

Sound Velocity

3,472.2

m/s

Homogeneity

0.2710

Related Tasks

Related computation task IDs (7)

aaabnehv aaacmyeh aaaehkgm aaaeovqy aaafaqmb aaafxhvc aaagbmxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8830

Reference Citation

The crystal structure and related material properties of NaRhO2 were obtained from the Materials Project database (MP-ID: mp-8830, 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_NaRhO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40042233
_cell_length_b   5.40042248
_cell_length_c   5.40042200
_cell_angle_alpha   33.55068952
_cell_angle_beta   33.55068277
_cell_angle_gamma   33.55069151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRhO2
_chemical_formula_sum   'Na1 Rh1 O2'
_cell_volume   42.85092387
_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
  Na  Na0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Rh  Rh1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.76591733  0.76591733  0.76591733  1.0
  O  O3  1  0.23408267  0.23408267  0.23408267  1.0

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