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Rb3Tc

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974774 · Space group: I4/mmm (#139)

Basic Information

Formula
Rb3Tc
MP-ID
mp-974774
Elements
2
Sites
4
Density
2.7554
g/cm³
Volume
213.58
ų
Cell a
7.1122
Å
Cell b
7.1122
Å
Cell c
7.1122
Å
α Angle
128.63
°
β Angle
128.63
°
γ Angle
75.60
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 19)
2θd (Å)Ihkl
25.87 3.4444 100.0 (1,1,0)
28.97 3.0824 37.3 (1,-1,1)
31.85 2.8098 14.5 (2,2,-2)
41.43 2.1796 13.8 (0,0,2)
43.59 2.0766 23.8 (3,1,-1)
49.49 1.8418 32.6 (2,0,1)
53.18 1.7222 13.1 (2,2,0)
53.22 1.7210 13.1 (3,3,-2)
60.03 1.5412 4.5 (2,-2,2)
66.46 1.4068 6.7 (1,1,2)
66.56 1.4049 1.7 (4,4,-4)
68.01 1.3785 6.2 (1,-1,3)
69.57 1.3513 5.8 (4,0,0)
69.60 1.3507 11.6 (4,2,-1)
74.18 1.2784 4.8 (5,3,-3)
77.06 1.2376 8.7 (3,1,1)
81.42 1.1820 7.6 (3,-1,2)
81.51 1.1809 3.8 (4,4,-2)
84.36 1.1481 3.5 (3,3,0)
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Energy Properties

Formation Energy/atom
1.24144
eV/atom
Energy/atom
-2.08412
eV/atom
Energy above Hull
1.2414
eV/atom
Uncorrected Energy
-2.0841
eV/atom
Volume/atom
53.39
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.7509
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.017560
μB/ų

Elastic Properties

KVRH
5.403
GPa
GVRH
1.895
GPa
Young's Modulus E
5.090
GPa
Poisson Ratio ν
0.343
Pugh Ratio K/G
2.851
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
4.950
Lame λ
4.140
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Rb · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.9500
Homogeneous Poisson ν
0.3430
Homogeneity
0.3430

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-974774
Reference Citation

The crystal structure and related material properties of Rb3Tc were obtained from the Materials Project database (MP-ID: mp-974774, 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_Rb3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11218978
_cell_length_b   7.11218978
_cell_length_c   7.11218978
_cell_angle_alpha   128.63273233
_cell_angle_beta   128.63273233
_cell_angle_gamma   75.60224504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Tc
_chemical_formula_sum   'Rb3 Tc1'
_cell_volume   213.57818031
_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  0.75000000  0.25000000  0.50000000  1.0
  Rb  Rb1  1  0.25000000  0.75000000  0.50000000  1.0
  Rb  Rb2  1  0.50000000  0.50000000  0.00000000  1.0
  Tc  Tc3  1  0.00000000  0.00000000  0.00000000  1.0
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