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TbCo3

Traditional Materials TRA

MP-ID: mp-1095562 · Space group: R-3m (#166)

Basic Information

Formula
TbCo3
MP-ID
mp-1095562
Elements
2
Sites
12
Density
9.5938
g/cm³
Volume
174.33
ų
Cell a
8.6260
Å
Cell b
8.6260
Å
Cell c
8.6260
Å
α Angle
33.52
°
β Angle
33.52
°
γ Angle
33.52
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.88 8.1338 1.9 (1,1,1)
20.94 4.2426 17.0 (1,0,0)
21.85 4.0669 6.4 (2,2,2)
25.31 3.5191 5.0 (2,1,1)
33.04 2.7113 2.9 (3,3,3)
33.06 2.7099 26.7 (2,2,3)
33.06 2.7099 53.5 (3,2,2)
36.08 2.4894 65.1 (3,3,2)
36.11 2.4874 28.5 (1,-1,0)
36.11 2.4874 57.1 (1,0,-1)
37.82 2.3786 2.0 (2,1,0)
42.11 2.1458 40.7 (1,-1,1)
42.11 2.1458 20.3 (1,1,-1)
42.58 2.1232 1.2 (3,3,4)
42.58 2.1232 2.3 (4,3,3)
42.61 2.1220 100.0 (3,1,2)
42.61 2.1220 50.0 (3,2,1)
42.62 2.1213 10.9 (2,0,0)
42.62 2.1213 5.5 (0,0,2)
44.56 2.0335 17.4 (4,4,4)
44.61 2.0312 9.9 (2,0,2)
44.61 2.0312 4.9 (2,2,0)
46.02 1.9722 13.5 (4,3,4)
46.02 1.9722 6.7 (4,4,3)
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Energy Properties

Formation Energy/atom
-0.14058
eV/atom
Energy/atom
-6.65011
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.6501
eV/atom
Volume/atom
14.53
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
10.1770
μB
Mag. Ordering
FiM
Mag. Sites
12
Magnetization/Volume
0.058380
μB/ų

Elastic Properties

KVRH
35.760
GPa
GVRH
3.478
GPa
Young's Modulus E
10.106
GPa
Poisson Ratio ν
0.453
Pugh Ratio K/G
10.282
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-21,394,383,729,686,998,711,427,542,998,370,937,910,152,914,796,544.000
Lame λ
33.441
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 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
0.806
Family
Co-based Alloy
Matrix Element
Co · 0.750

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1095562
Reference Citation

The crystal structure and related material properties of TbCo3 were obtained from the Materials Project database (MP-ID: mp-1095562, 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_TbCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62604117
_cell_length_b   8.62604117
_cell_length_c   8.62604188
_cell_angle_alpha   33.51893290
_cell_angle_beta   33.51893290
_cell_angle_gamma   33.51893885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCo3
_chemical_formula_sum   'Tb3 Co9'
_cell_volume   174.32620454
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.86033300  0.86033300  0.86033300  1.0
  Tb  Tb1  1  0.13966700  0.13966700  0.13966700  1.0
  Tb  Tb2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.41967100  0.91852400  0.41967100  1.0
  Co  Co4  1  0.41967100  0.41967100  0.91852400  1.0
  Co  Co5  1  0.91852400  0.41967100  0.41967100  1.0
  Co  Co6  1  0.58032900  0.08147600  0.58032900  1.0
  Co  Co7  1  0.58032900  0.58032900  0.08147600  1.0
  Co  Co8  1  0.08147600  0.58032900  0.58032900  1.0
  Co  Co9  1  0.66670100  0.66670100  0.66670100  1.0
  Co  Co10  1  0.33329900  0.33329900  0.33329900  1.0
  Co  Co11  1  0.50000000  0.50000000  0.50000000  1.0
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