Basic Information
Formula
Y3Co13B2
MP-ID
mp-1106148
Elements
3
Sites
18
Density
7.5176
g/cm³
Volume
232.92
ų
Cell a
4.9810
Å
Cell b
4.9786
Å
Cell c
10.8326
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.88
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 8.16 | 10.8326 | 1.5 | (0,0,0,1) |
| 16.37 | 5.4163 | 1.4 | (0,0,0,2) |
| 20.57 | 4.3188 | 3.4 | (1,0,-1,0) |
| 20.58 | 4.3168 | 3.2 | (0,1,-1,0) |
| 20.61 | 4.3100 | 3.3 | (1,-1,0,0) |
| 22.16 | 4.0118 | 1.2 | (1,0,-1,-1) |
| 22.16 | 4.0117 | 1.2 | (1,0,-1,1) |
| 22.17 | 4.0101 | 1.2 | (0,1,-1,-1) |
| 22.17 | 4.0101 | 1.2 | (0,1,-1,1) |
| 22.20 | 4.0047 | 1.2 | (1,-1,0,-1) |
| 22.20 | 4.0047 | 1.2 | (1,-1,0,1) |
| 32.32 | 2.7702 | 39.7 | (1,0,-1,-3) |
| 32.32 | 2.7702 | 39.7 | (1,0,-1,3) |
| 32.32 | 2.7697 | 40.1 | (0,1,-1,-3) |
| 32.32 | 2.7697 | 40.1 | (0,1,-1,3) |
| 32.34 | 2.7679 | 39.9 | (1,-1,0,-3) |
| 32.34 | 2.7679 | 39.9 | (1,-1,0,3) |
| 33.08 | 2.7082 | 9.0 | (0,0,0,4) |
| 36.01 | 2.4944 | 38.4 | (1,1,-2,0) |
| 36.06 | 2.4905 | 38.3 | (2,-1,-1,0) |
| 36.08 | 2.4893 | 38.2 | (1,-2,1,0) |
| 36.98 | 2.4308 | 2.8 | (1,1,-2,-1) |
| 36.98 | 2.4308 | 2.8 | (1,1,-2,1) |
| 37.04 | 2.4272 | 2.7 | (2,-1,-1,-1) |
Energy Properties
Formation Energy/atom
-0.19936
eV/atom
Energy/atom
-7.17828
eV/atom
Energy above Hull
0.0175
eV/atom
Uncorrected Energy
-7.1783
eV/atom
Volume/atom
12.94
ų
c/a Ratio
2.1748
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
14.5171
μB
Mag. Ordering
FiM
Mag. Sites
15
Magnetization/Volume
0.062330
μB/ų
Elastic Properties
KVRH
0.130
GPa
GVRH
-0.008
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-17.289
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
198,494,285.617
Lame λ
0.135
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.722
Element Family
N/A
Solute Fraction
0.278
Interstitial Fraction
0.111
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.813
Family
Co-based Alloy
Matrix Element
Co · 0.722
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1106148
Reference Citation
The crystal structure and related material properties of Y3Co13B2 were obtained from the Materials Project database (MP-ID: mp-1106148, 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_Y3Co13B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98098495
_cell_length_b 4.97859540
_cell_length_c 10.83259300
_cell_angle_alpha 89.99954392
_cell_angle_beta 90.00121700
_cell_angle_gamma 119.88087764
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y3Co13B2
_chemical_formula_sum 'Y3 Co13 B2'
_cell_volume 232.91914009
_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
Y Y0 1 0.99998400 0.99999100 0.32362600 1.0
Y Y1 1 0.00000800 0.00000300 0.67672100 1.0
Y Y2 1 0.99999200 0.00000200 0.99959300 1.0
Co Co3 1 0.49998600 0.99998800 0.13550100 1.0
Co Co4 1 0.49999400 0.50000400 0.13557300 1.0
Co Co5 1 0.00000100 0.50000600 0.13571400 1.0
Co Co6 1 0.49998300 0.99997900 0.86427200 1.0
Co Co7 1 0.49998700 0.50001300 0.86419300 1.0
Co Co8 1 0.00002200 0.50001700 0.86419500 1.0
Co Co9 1 0.33391400 0.66709100 0.31801400 1.0
Co Co10 1 0.66605000 0.33291900 0.31819600 1.0
Co Co11 1 0.66621400 0.33294000 0.68200300 1.0
Co Co12 1 0.33378500 0.66704900 0.68222400 1.0
Co Co13 1 0.49981900 0.99964100 0.50022400 1.0
Co Co14 1 0.49982300 0.50017400 0.50023600 1.0
Co Co15 1 0.00036600 0.50018300 0.50024300 1.0
B B16 1 0.33343700 0.66655700 0.99972900 1.0
B B17 1 0.66653500 0.33344400 0.99974500 1.0
