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La2Co3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-569054 · Space group: Cmce (#64)

Basic Information

Formula
La2Co3
MP-ID
mp-569054
Elements
2
Sites
10
Density
7.5059
g/cm³
Volume
201.15
ų
Cell a
4.7794
Å
Cell b
5.7773
Å
Cell c
8.0080
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
114.54
°
Space Group
Cmce
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
16.87 5.2556 16.5 (0,1,0)
20.21 4.3940 7.1 (0,1,1)
20.21 4.3937 7.1 (0,1,-1)
22.20 4.0040 13.8 (0,0,2)
23.26 3.8250 13.7 (1,-1,-1)
23.26 3.8249 13.7 (1,-1,1)
23.28 3.8210 13.9 (1,0,1)
23.28 3.8209 13.9 (1,0,-1)
28.01 3.1851 10.1 (0,1,2)
28.02 3.1849 10.1 (0,1,-2)
30.33 2.9472 62.3 (1,-1,-2)
30.33 2.9471 62.4 (1,-1,2)
30.35 2.9454 62.1 (1,0,2)
30.35 2.9453 62.1 (1,0,-2)
33.61 2.6668 100.0 (1,-2,-1)
33.61 2.6667 100.0 (1,-2,1)
33.66 2.6628 99.4 (1,1,1)
33.66 2.6627 99.4 (1,1,-1)
34.12 2.6278 20.8 (0,2,0)
35.97 2.4969 48.6 (0,2,1)
35.97 2.4968 48.6 (0,2,-1)
37.64 2.3897 38.5 (2,-1,0)
37.80 2.3800 99.6 (0,1,3)
37.80 2.3799 99.5 (0,1,-3)
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Energy Properties

Formation Energy/atom
-0.01448
eV/atom
Energy/atom
-19.85293
eV/atom
Energy above Hull
0.0115
eV/atom
Uncorrected Energy
-19.8529
eV/atom
Volume/atom
20.11
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
6.5565
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.032600
μB/ų

Elastic Properties

KVRH
70.274
GPa
GVRH
14.097
GPa
Young's Modulus E
39.640
GPa
Poisson Ratio ν
0.406
Pugh Ratio K/G
4.985
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
3.218
Lame λ
60.876
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.824
Family
Co-based Alloy
Matrix Element
Co · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.2180
Homogeneous Poisson ν
0.4060
Debye Temperature
169.9
K
Sound Velocity
1,552.6
m/s
Homogeneity
0.4060

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-569054
Reference Citation

The crystal structure and related material properties of La2Co3 were obtained from the Materials Project database (MP-ID: mp-569054, 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_La2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77934820
_cell_length_b   5.77725833
_cell_length_c   8.00803402
_cell_angle_alpha   89.99688989
_cell_angle_beta   89.99952283
_cell_angle_gamma   114.53508679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Co3
_chemical_formula_sum   'La4 Co6'
_cell_volume   201.14904562
_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
  La  La0  1  0.15539791  0.31114823  0.58652367  1.0
  La  La1  1  0.84464502  0.68885508  0.41346924  1.0
  La  La2  1  0.65533788  0.31111763  0.91342590  1.0
  La  La3  1  0.34461698  0.68885007  0.08657945  1.0
  Co  Co4  1  0.68678023  0.87390636  0.75001737  1.0
  Co  Co5  1  0.31324165  0.12610789  0.24999094  1.0
  Co  Co6  1  0.18683421  0.87389655  0.74994590  1.0
  Co  Co7  1  0.81316922  0.12613394  0.25005498  1.0
  Co  Co8  1  0.00005457  -0.00001665  0.00003209  1.0
  Co  Co9  1  0.49992534  0.00000090  0.49995846  1.0
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