DyBe13
传统材料 TRAMP-ID: mp-31189 · Space group: Fm-3c (#226)
Basic Information
Formula
DyBe13
MP-ID
mp-31189
Elements
2
Sites
28
Density
3.5008
g/cm³
Volume
265.30
ų
Cell a
7.2125
Å
Cell b
7.2125
Å
Cell c
7.2124
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3c
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
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 |
|---|---|---|---|
| 17.39 | 5.1000 | 90.3 | (1,0,1) |
| 17.39 | 5.0999 | 45.1 | (1,1,0) |
| 24.69 | 3.6063 | 25.0 | (1,-1,0) |
| 24.69 | 3.6062 | 100.0 | (1,0,-1) |
| 24.69 | 3.6062 | 25.0 | (1,1,2) |
| 30.36 | 2.9445 | 33.0 | (2,0,0) |
| 30.36 | 2.9445 | 16.5 | (0,0,2) |
| 30.36 | 2.9445 | 16.5 | (2,2,2) |
| 35.19 | 2.5500 | 22.4 | (2,0,2) |
| 35.19 | 2.5500 | 11.2 | (2,2,0) |
| 39.51 | 2.2808 | 17.9 | (2,-1,1) |
| 39.51 | 2.2808 | 35.7 | (1,-1,2) |
| 39.51 | 2.2808 | 17.9 | (2,1,3) |
| 39.51 | 2.2808 | 8.9 | (2,1,-1) |
| 39.51 | 2.2808 | 26.8 | (1,2,-1) |
| 43.46 | 2.0821 | 30.1 | (2,-1,-1) |
| 43.46 | 2.0821 | 15.1 | (3,1,0) |
| 43.46 | 2.0821 | 7.5 | (0,1,3) |
| 43.46 | 2.0821 | 22.6 | (1,0,3) |
| 43.46 | 2.0820 | 7.5 | (1,1,-2) |
| 43.46 | 2.0820 | 7.5 | (3,3,2) |
| 50.62 | 1.8032 | 3.2 | (2,-2,0) |
| 50.62 | 1.8031 | 3.2 | (2,0,-2) |
| 50.62 | 1.8031 | 6.4 | (0,2,-2) |
Energy Properties
Formation Energy/atom
-0.18535
eV/atom
Energy/atom
-3.98754
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.5151
eV/atom
Volume/atom
9.48
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.929
Element Family
N/A
Solute Fraction
0.071
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.598
Family
Binary Alloy
Matrix Element
Be · 0.929
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31189
Reference Citation
The crystal structure and related material properties of DyBe13 were obtained from the Materials Project database (MP-ID: mp-31189, 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_DyBe13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21245673
_cell_length_b 7.21245620
_cell_length_c 7.21243325
_cell_angle_alpha 60.00011467
_cell_angle_beta 60.00011710
_cell_angle_gamma 60.00128298
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyBe13
_chemical_formula_sum 'Dy2 Be26'
_cell_volume 265.30057439
_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 0.25000000 0.25000000 0.25000000 1.0
Dy Dy1 1 0.75000000 0.75000000 0.75000000 1.0
Be Be2 1 -0.00000000 -0.00000000 -0.00000000 1.0
Be Be3 1 0.50000000 0.50000000 0.50000000 1.0
Be Be4 1 0.28984857 0.06252903 0.93746955 1.0
Be Be5 1 0.43747670 0.56252330 0.78987608 1.0
Be Be6 1 0.78987114 0.21012886 0.43747936 1.0
Be Be7 1 0.43747689 0.78990313 0.21009164 1.0
Be Be8 1 0.56252311 0.21009687 0.78990836 1.0
Be Be9 1 0.56252903 0.78984857 0.43746955 1.0
Be Be10 1 0.78984857 0.56252903 0.21015385 1.0
Be Be11 1 0.93747689 0.28990313 0.06252734 1.0
Be Be12 1 0.06252330 0.93747670 0.28987708 1.0
Be Be13 1 0.71012886 0.28987114 0.93747936 1.0
Be Be14 1 0.06252311 0.71009687 0.93747266 1.0
Be Be15 1 0.71009687 0.06252311 0.28990836 1.0
Be Be16 1 0.93747670 0.06252330 0.71012292 1.0
Be Be17 1 0.28990313 0.93747689 0.71009164 1.0
Be Be18 1 0.28987114 0.71012886 0.06252064 1.0
Be Be19 1 0.78990313 0.43747689 0.56252734 1.0
Be Be20 1 0.21012886 0.78987114 0.56252064 1.0
Be Be21 1 0.21015143 0.43747097 0.78984615 1.0
Be Be22 1 0.43747097 0.21015143 0.56253045 1.0
Be Be23 1 0.56252330 0.43747670 0.21012292 1.0
Be Be24 1 0.21009687 0.56252311 0.43747266 1.0
Be Be25 1 0.93747097 0.71015143 0.28984615 1.0
Be Be26 1 0.71015143 0.93747097 0.06253045 1.0
Be Be27 1 0.06252903 0.28984857 0.71015385 1.0
