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Rb2Te

Elasticity Data ELA

MP-ID: mp-1397 · Space group: Pnma (#62)

Basic Information

Formula
Rb2Te
MP-ID
mp-1397
Elements
2
Sites
12
Density
3.5412
g/cm³
Volume
559.96
ų
Cell a
5.5476
Å
Cell b
9.0996
Å
Cell c
11.0925
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.88 4.9617 9.1 (1,0,1)
18.74 4.7359 13.3 (0,1,2)
19.51 4.5498 8.8 (0,2,0)
20.39 4.3562 9.4 (1,1,1)
24.72 3.6019 52.5 (1,1,2)
25.32 3.5180 28.9 (1,2,0)
25.32 3.5176 11.2 (0,2,2)
26.01 3.4255 18.3 (0,1,3)
26.58 3.3534 100.0 (1,2,1)
29.02 3.0767 55.8 (1,0,3)
30.08 2.9708 3.1 (1,2,2)
30.55 2.9258 13.8 (0,3,1)
30.67 2.9146 28.4 (1,1,3)
31.17 2.8694 9.3 (0,2,3)
32.27 2.7738 48.7 (2,0,0)
32.28 2.7731 15.8 (0,0,4)
33.68 2.6612 33.7 (0,3,2)
34.66 2.5879 17.4 (1,3,1)
35.21 2.5487 21.7 (1,2,3)
37.58 2.3935 4.6 (2,1,2)
37.58 2.3932 1.3 (1,1,4)
37.99 2.3684 3.2 (2,2,0)
38.00 2.3680 7.0 (0,2,4)
38.38 2.3451 1.8 (0,3,3)
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Energy Properties

Formation Energy/atom
-1.12965
eV/atom
Energy/atom
-2.83110
eV/atom
Energy above Hull
0.0081
eV/atom
Uncorrected Energy
-18.9490
eV/atom
Volume/atom
46.66
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.702
eV
Direct Gap
Yes
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
11.617
GPa
GVRH
5.003
GPa
Young's Modulus E
13.125
GPa
Poisson Ratio ν
0.312
Pugh Ratio K/G
2.322
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.575
Lame λ
8.282
GPa

Feature Analysis

Composition Overview

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

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5750
Homogeneous Poisson ν
0.3120
Homogeneity
0.3120

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1397
Reference Citation

The crystal structure and related material properties of Rb2Te were obtained from the Materials Project database (MP-ID: mp-1397, 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_Rb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54755469
_cell_length_b   9.09956281
_cell_length_c   11.09254080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Te
_chemical_formula_sum   'Rb8 Te4'
_cell_volume   559.95503519
_cell_formula_units_Z   4
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  0.96983441  0.82614375  1.0
  Rb  Rb1  1  0.25000000  0.03016559  0.17385625  1.0
  Rb  Rb2  1  0.75000000  0.46983441  0.67385625  1.0
  Rb  Rb3  1  0.25000000  0.53016559  0.32614375  1.0
  Rb  Rb4  1  0.75000000  0.85261138  0.42885466  1.0
  Rb  Rb5  1  0.25000000  0.14738862  0.57114534  1.0
  Rb  Rb6  1  0.75000000  0.35261138  0.07114534  1.0
  Rb  Rb7  1  0.25000000  0.64738862  0.92885466  1.0
  Te  Te8  1  0.75000000  0.75159433  0.11734962  1.0
  Te  Te9  1  0.25000000  0.24840567  0.88265038  1.0
  Te  Te10  1  0.75000000  0.25159433  0.38265038  1.0
  Te  Te11  1  0.25000000  0.74840567  0.61734962  1.0
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