Navigation

HEAS Data Platform · Materials Science Database

RbNaS

Elasticity Data ELA

MP-ID: mp-8799 · Space group: P4/nmm (#129)

Basic Information

Formula
RbNaS
MP-ID
mp-8799
Elements
3
Sites
6
Density
2.8006
g/cm³
Volume
166.64
ų
Cell a
4.6900
Å
Cell b
4.6900
Å
Cell c
7.5757
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.68 7.5757 5.6 (0,0,1)
22.29 3.9877 27.7 (1,0,1)
23.49 3.7878 4.4 (0,0,2)
26.88 3.3163 62.3 (1,1,0)
29.40 3.0380 46.9 (1,1,1)
30.33 2.9468 100.0 (1,0,2)
35.55 2.5252 10.6 (0,0,3)
35.99 2.4952 37.3 (1,1,2)
38.39 2.3450 52.7 (2,0,0)
40.26 2.2401 1.4 (2,0,1)
40.57 2.2234 10.5 (1,0,3)
44.84 2.0214 10.0 (2,1,1)
45.13 2.0091 3.6 (1,1,3)
45.49 1.9938 2.5 (2,0,2)
49.69 1.8349 47.4 (2,1,2)
52.08 1.7561 12.6 (1,0,4)
53.31 1.7184 13.0 (2,0,3)
55.41 1.6582 17.1 (2,2,0)
55.91 1.6446 11.3 (1,1,4)
57.08 1.6135 7.3 (2,1,3)
60.47 1.5311 2.1 (3,0,1)
61.00 1.5190 1.0 (2,2,2)
62.64 1.4831 10.5 (3,1,0)
63.10 1.4734 1.5 (2,0,4)
Get direct link

Energy Properties

Formation Energy/atom
-1.21212
eV/atom
Energy/atom
-3.36534
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-9.7772
eV/atom
Volume/atom
27.77
ų
c/a Ratio
1.6153

Electronic Properties

Metallic
Non-metal
Band Gap
2.295
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
22.388
GPa
GVRH
12.314
GPa
Young's Modulus E
31.218
GPa
Poisson Ratio ν
0.268
Pugh Ratio K/G
1.818
Vickers Hardness Est.
1.317
GPa
Ductility
Brittle
Anisotropy
0.286
Lame λ
14.179
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 0.333
Element Family
Alkali-AlkEarth
Solute Fraction
0.667
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2860
Homogeneous Poisson ν
0.2680
Debye Temperature
313.3
K
Sound Velocity
2,332.8
m/s
Homogeneity
0.2680

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8799
Reference Citation

The crystal structure and related material properties of RbNaS were obtained from the Materials Project database (MP-ID: mp-8799, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_RbNaS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69001750
_cell_length_b   4.69001750
_cell_length_c   7.57564858
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNaS
_chemical_formula_sum   'Rb2 Na2 S2'
_cell_volume   166.63596728
_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
  Rb  Rb0  1  0.75000000  0.75000000  0.35083371  1.0
  Rb  Rb1  1  0.25000000  0.25000000  0.64916629  1.0
  Na  Na2  1  0.75000000  0.25000000  0.00000000  1.0
  Na  Na3  1  0.25000000  0.75000000  -0.00000000  1.0
  S  S4  1  0.25000000  0.25000000  0.20421861  1.0
  S  S5  1  0.75000000  0.75000000  0.79578139  1.0
Get direct link