Basic Information
Formula
La3Co
MP-ID
mp-640095
Elements
2
Sites
16
Density
6.5993
g/cm³
Volume
478.74
ų
Cell a
6.7772
Å
Cell b
7.0374
Å
Cell c
10.0379
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.02
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.78 | 5.6168 | 2.1 | (1,0,1) |
| 17.67 | 5.0190 | 1.0 | (0,0,2) |
| 18.17 | 4.8825 | 2.3 | (1,-1,0) |
| 18.18 | 4.8807 | 2.3 | (1,1,0) |
| 20.23 | 4.3907 | 5.0 | (1,-1,1) |
| 20.23 | 4.3893 | 5.0 | (1,1,1) |
| 25.45 | 3.4997 | 12.6 | (1,-1,2) |
| 25.46 | 3.4990 | 12.6 | (1,1,2) |
| 26.30 | 3.3886 | 9.0 | (2,0,0) |
| 26.85 | 3.3206 | 34.0 | (0,2,1) |
| 28.58 | 3.1234 | 9.6 | (1,-2,0) |
| 28.59 | 3.1224 | 9.6 | (1,2,0) |
| 29.25 | 3.0535 | 24.9 | (2,-1,0) |
| 29.26 | 3.0526 | 24.9 | (2,1,0) |
| 29.78 | 3.0002 | 100.0 | (1,0,3) |
| 29.96 | 2.9823 | 7.4 | (1,-2,1) |
| 29.97 | 2.9815 | 7.4 | (1,2,1) |
| 30.60 | 2.9214 | 39.6 | (2,-1,1) |
| 30.61 | 2.9206 | 39.6 | (2,1,1) |
| 31.04 | 2.8812 | 13.6 | (0,2,2) |
| 31.86 | 2.8084 | 16.1 | (2,0,2) |
| 32.44 | 2.7601 | 27.6 | (1,-1,3) |
| 32.44 | 2.7597 | 27.7 | (1,1,3) |
| 33.80 | 2.6518 | 46.2 | (1,-2,2) |
Energy Properties
Formation Energy/atom
-0.03374
eV/atom
Energy/atom
-25.65089
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.6509
eV/atom
Volume/atom
29.92
ų
c/a Ratio
1.4811
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7771
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.003710
μB/ų
Elastic Properties
KVRH
32.741
GPa
GVRH
12.416
GPa
Young's Modulus E
33.068
GPa
Poisson Ratio ν
0.332
Pugh Ratio K/G
2.637
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.097
Lame λ
24.464
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
La · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-640095
Reference Citation
The crystal structure and related material properties of La3Co were obtained from the Materials Project database (MP-ID: mp-640095, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_La3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77714875
_cell_length_b 7.03737413
_cell_length_c 10.03789761
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.02176586
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Co
_chemical_formula_sum 'La12 Co4'
_cell_volume 478.74074156
_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
La La0 1 0.82786022 0.64656740 0.06923349 1.0
La La1 1 0.67215707 0.14653084 0.06920887 1.0
La La2 1 0.17213978 0.35343260 0.93076651 1.0
La La3 1 0.32784293 0.85346916 0.56920887 1.0
La La4 1 0.86837343 0.92366459 0.75000000 1.0
La La5 1 0.13162657 0.07633541 0.25000000 1.0
La La6 1 0.17213978 0.35343260 0.56923349 1.0
La La7 1 0.67215707 0.14653084 0.43079113 1.0
La La8 1 0.32784293 0.85346916 0.93079113 1.0
La La9 1 0.82786022 0.64656740 0.43076651 1.0
La La10 1 0.36847237 0.57640149 0.25000000 1.0
La La11 1 0.63152763 0.42359851 0.75000000 1.0
Co Co12 1 0.55111350 0.87055772 0.25000000 1.0
Co Co13 1 0.44888650 0.12944228 0.75000000 1.0
Co Co14 1 0.05109146 0.62952448 0.75000000 1.0
Co Co15 1 0.94890854 0.37047552 0.25000000 1.0
