Basic Information
Formula
DyCo4B
MP-ID
mp-1103593
Elements
3
Sites
12
Density
9.2133
g/cm³
Volume
147.45
ų
Cell a
4.9924
Å
Cell b
4.9940
Å
Cell c
6.8282
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.99
°
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 |
|---|---|---|---|
| 20.53 | 4.3253 | 8.5 | (0,1,-1,0) |
| 20.54 | 4.3240 | 17.0 | (1,0,-1,0) |
| 26.10 | 3.4141 | 5.6 | (0,0,0,2) |
| 33.44 | 2.6799 | 46.1 | (0,1,-1,2) |
| 33.44 | 2.6795 | 92.3 | (1,0,-1,2) |
| 35.97 | 2.4970 | 16.5 | (1,1,-2,0) |
| 35.97 | 2.4970 | 16.5 | (1,-2,1,0) |
| 35.98 | 2.4962 | 16.5 | (2,-1,-1,0) |
| 38.38 | 2.3451 | 4.7 | (1,1,-2,1) |
| 38.38 | 2.3451 | 4.7 | (1,-2,1,1) |
| 38.40 | 2.3445 | 4.7 | (2,-1,-1,1) |
| 39.60 | 2.2761 | 14.1 | (0,0,0,3) |
| 41.77 | 2.1627 | 37.2 | (0,2,-2,0) |
| 41.78 | 2.1620 | 74.4 | (2,0,-2,0) |
| 43.92 | 2.0617 | 3.4 | (0,2,-2,1) |
| 43.93 | 2.0612 | 6.7 | (2,0,-2,1) |
| 44.98 | 2.0155 | 100.0 | (1,1,-2,2) |
| 44.99 | 2.0151 | 50.0 | (2,-1,-1,2) |
| 45.01 | 2.0142 | 2.8 | (0,1,-1,3) |
| 45.01 | 2.0141 | 5.7 | (1,0,-1,3) |
| 49.93 | 1.8266 | 1.0 | (2,0,-2,2) |
| 53.69 | 1.7070 | 20.1 | (0,0,0,4) |
| 56.27 | 1.6348 | 1.5 | (1,2,-3,0) |
| 56.28 | 1.6345 | 1.5 | (2,1,-3,0) |
Energy Properties
Formation Energy/atom
-0.28540
eV/atom
Energy/atom
-6.92397
eV/atom
Energy above Hull
0.0101
eV/atom
Uncorrected Energy
-6.9240
eV/atom
Volume/atom
12.29
ų
c/a Ratio
1.3677
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.2097
μB
Mag. Ordering
FiM
Mag. Sites
10
Magnetization/Volume
0.048900
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.167
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.744
Family
Co-based Alloy
Matrix Element
Co · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103593
Reference Citation
The crystal structure and related material properties of DyCo4B were obtained from the Materials Project database (MP-ID: mp-1103593, 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_DyCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99243565
_cell_length_b 4.99395983
_cell_length_c 6.82815700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.98990116
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyCo4B
_chemical_formula_sum 'Dy2 Co8 B2'
_cell_volume 147.44696465
_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
Dy Dy0 1 0.99999000 0.00000000 0.00000000 1.0
Dy Dy1 1 0.99999600 0.00000000 0.50000000 1.0
Co Co2 1 0.33325700 0.66660000 0.00000000 1.0
Co Co3 1 0.66665700 0.33340000 0.00000000 1.0
Co Co4 1 0.49999900 0.00000000 0.28835200 1.0
Co Co5 1 0.49999500 0.50000400 0.28840000 1.0
Co Co6 1 0.99999100 0.49999600 0.28840000 1.0
Co Co7 1 0.49999900 0.00000000 0.71164800 1.0
Co Co8 1 0.49999500 0.50000400 0.71160000 1.0
Co Co9 1 0.99999100 0.49999600 0.71160000 1.0
B B10 1 0.33325900 0.66658800 0.50000000 1.0
B B11 1 0.66667100 0.33341200 0.50000000 1.0
