Basic Information
Formula
Er3Co11B4
MP-ID
mp-1181434
Elements
3
Sites
18
Density
9.4026
g/cm³
Volume
210.74
ų
Cell a
4.9976
Å
Cell b
4.9976
Å
Cell c
9.7431
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
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 |
|---|---|---|---|
| 20.52 | 4.3280 | 27.1 | (1,0,-1,0) |
| 22.48 | 3.9553 | 1.6 | (1,0,-1,1) |
| 27.46 | 3.2477 | 2.4 | (0,0,0,3) |
| 34.53 | 2.5977 | 100.0 | (1,0,-1,3) |
| 35.94 | 2.4988 | 29.5 | (2,-1,-1,0) |
| 36.90 | 2.4358 | 5.3 | (0,0,0,4) |
| 37.14 | 2.4205 | 2.2 | (2,-1,-1,1) |
| 37.14 | 2.4205 | 1.1 | (1,1,-2,1) |
| 40.58 | 2.2234 | 6.8 | (2,-1,-1,2) |
| 41.74 | 2.1640 | 85.3 | (2,0,-2,0) |
| 42.59 | 2.1227 | 7.7 | (1,0,-1,4) |
| 42.81 | 2.1125 | 3.4 | (2,0,-2,1) |
| 45.82 | 1.9804 | 58.5 | (2,-1,-1,3) |
| 45.82 | 1.9804 | 29.3 | (1,1,-2,3) |
| 45.89 | 1.9777 | 1.8 | (2,0,-2,2) |
| 46.61 | 1.9486 | 3.3 | (0,0,0,5) |
| 56.23 | 1.6358 | 4.6 | (3,-1,-2,0) |
| 56.69 | 1.6239 | 9.6 | (0,0,0,6) |
| 56.92 | 1.6178 | 2.7 | (2,0,-2,4) |
| 60.22 | 1.5366 | 1.3 | (2,-1,-1,5) |
| 60.94 | 1.5204 | 6.1 | (1,0,-1,6) |
| 63.70 | 1.4610 | 11.3 | (3,-2,-1,3) |
| 63.70 | 1.4610 | 22.6 | (3,-1,-2,3) |
| 64.33 | 1.4481 | 2.0 | (2,0,-2,5) |
Energy Properties
Formation Energy/atom
-0.37142
eV/atom
Energy/atom
-6.97633
eV/atom
Energy above Hull
0.0090
eV/atom
Uncorrected Energy
-6.9763
eV/atom
Volume/atom
11.71
ų
c/a Ratio
1.9496
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.4625
μB
Mag. Ordering
FiM
Mag. Sites
14
Magnetization/Volume
0.030670
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.611
Element Family
N/A
Solute Fraction
0.389
Interstitial Fraction
0.222
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.708
Family
Co-based Alloy
Matrix Element
Co · 0.611
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1181434
Reference Citation
The crystal structure and related material properties of Er3Co11B4 were obtained from the Materials Project database (MP-ID: mp-1181434, 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_Er3Co11B4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99756230
_cell_length_b 4.99756230
_cell_length_c 9.74310500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000402
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er3Co11B4
_chemical_formula_sum 'Er3 Co11 B4'
_cell_volume 210.73876530
_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
Er Er0 1 0.00000000 0.00000000 0.00000000 1.0
Er Er1 1 0.00000000 0.00000000 0.65774200 1.0
Er Er2 1 0.00000000 0.00000000 0.34225800 1.0
Co Co3 1 0.66666700 0.33333300 0.00000000 1.0
Co Co4 1 0.33333300 0.66666700 0.00000000 1.0
Co Co5 1 0.50000000 0.50000000 0.50000000 1.0
Co Co6 1 0.50000000 0.00000000 0.50000000 1.0
Co Co7 1 0.00000000 0.50000000 0.50000000 1.0
Co Co8 1 0.50000000 0.50000000 0.79839500 1.0
Co Co9 1 0.50000000 0.00000000 0.79839500 1.0
Co Co10 1 0.00000000 0.50000000 0.79839500 1.0
Co Co11 1 0.50000000 0.50000000 0.20160500 1.0
Co Co12 1 0.50000000 0.00000000 0.20160500 1.0
Co Co13 1 0.00000000 0.50000000 0.20160500 1.0
B B14 1 0.66666700 0.33333300 0.65025800 1.0
B B15 1 0.33333300 0.66666700 0.65025800 1.0
B B16 1 0.33333300 0.66666700 0.34974200 1.0
B B17 1 0.66666700 0.33333300 0.34974200 1.0
