Basic Information
Formula
Be2Re
MP-ID
mp-11275
Elements
2
Sites
12
Density
11.5597
g/cm³
Volume
117.35
ų
Cell a
4.3617
Å
Cell b
4.3617
Å
Cell c
7.1227
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 |
|---|---|---|---|
| 23.55 | 3.7773 | 31.4 | (1,0,-1,0) |
| 23.55 | 3.7773 | 62.9 | (1,-1,0,0) |
| 25.00 | 3.5614 | 56.6 | (0,0,0,2) |
| 26.71 | 3.3371 | 19.7 | (1,0,-1,1) |
| 26.71 | 3.3371 | 19.7 | (1,-1,0,1) |
| 26.71 | 3.3371 | 19.7 | (0,1,-1,1) |
| 34.62 | 2.5913 | 13.0 | (1,0,-1,2) |
| 34.62 | 2.5913 | 26.1 | (1,-1,0,2) |
| 41.40 | 2.1808 | 32.7 | (2,-1,-1,0) |
| 41.40 | 2.1808 | 32.7 | (1,1,-2,0) |
| 41.40 | 2.1808 | 32.7 | (1,-2,1,0) |
| 45.10 | 2.0101 | 100.0 | (1,0,-1,3) |
| 48.18 | 1.8887 | 5.5 | (2,0,-2,0) |
| 48.18 | 1.8887 | 11.0 | (2,-2,0,0) |
| 48.98 | 1.8598 | 22.8 | (2,-1,-1,2) |
| 48.98 | 1.8598 | 22.8 | (1,1,-2,2) |
| 48.98 | 1.8598 | 22.8 | (1,-2,1,2) |
| 49.96 | 1.8256 | 5.1 | (2,0,-2,1) |
| 49.96 | 1.8256 | 10.2 | (2,-2,0,1) |
| 55.04 | 1.6686 | 3.0 | (2,0,-2,2) |
| 55.04 | 1.6686 | 3.0 | (2,-2,0,2) |
| 55.04 | 1.6686 | 3.0 | (0,2,-2,2) |
| 62.88 | 1.4781 | 10.9 | (2,0,-2,3) |
| 62.88 | 1.4781 | 21.8 | (2,-2,0,3) |
Energy Properties
Formation Energy/atom
-0.37955
eV/atom
Energy/atom
-7.02187
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.7743
eV/atom
Volume/atom
9.78
ų
c/a Ratio
1.6330
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
KVRH
241.539
GPa
GVRH
173.672
GPa
Young's Modulus E
420.285
GPa
Poisson Ratio ν
0.210
Pugh Ratio K/G
1.391
Vickers Hardness Est.
24.775
GPa
Ductility
Ductile
Anisotropy
0.002
Lame λ
125.758
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.667
Element Family
Alkali-AlkEarth
Solute Fraction
0.333
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0020
Homogeneous Poisson ν
0.2100
Debye Temperature
596.2
K
Sound Velocity
4,283.7
m/s
Homogeneity
0.2100
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11275
Reference Citation
The crystal structure and related material properties of Be2Re were obtained from the Materials Project database (MP-ID: mp-11275, 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_Be2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36168394
_cell_length_b 4.36168141
_cell_length_c 7.12271297
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998860
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2Re
_chemical_formula_sum 'Be8 Re4'
_cell_volume 117.35031433
_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
Be Be0 1 0.00000000 0.00000000 -0.00000000 1.0
Be Be1 1 0.00000000 0.00000000 0.50000000 1.0
Be Be2 1 0.83103591 0.66207083 0.25000000 1.0
Be Be3 1 0.16896409 0.83103591 0.75000000 1.0
Be Be4 1 0.66207083 0.83103591 0.75000000 1.0
Be Be5 1 0.33792917 0.16896409 0.25000000 1.0
Be Be6 1 0.83103591 0.16896409 0.25000000 1.0
Be Be7 1 0.16896409 0.33792917 0.75000000 1.0
Re Re8 1 0.33333300 0.66666700 0.06117514 1.0
Re Re9 1 0.66666700 0.33333300 0.56117514 1.0
Re Re10 1 0.66666700 0.33333300 0.93882486 1.0
Re Re11 1 0.33333300 0.66666700 0.43882486 1.0
