Be
传统材料 TRAMP-ID: mp-1008501 · Space group: P4_2/mnm (#136)
Basic Information
Formula
Be
MP-ID
mp-1008501
Elements
1
Sites
4
Density
1.8691
g/cm³
Volume
32.03
ų
Cell a
3.7468
Å
Cell b
3.7468
Å
Cell c
2.2813
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mnm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.83 | 2.6494 | 1.9 | (1,1,0) |
| 46.61 | 1.9485 | 15.3 | (1,0,1) |
| 48.60 | 1.8734 | 53.4 | (2,0,0) |
| 52.97 | 1.7287 | 100.0 | (1,1,1) |
| 54.78 | 1.6756 | 31.2 | (2,1,0) |
| 69.62 | 1.3505 | 6.6 | (2,1,1) |
| 71.18 | 1.3247 | 12.5 | (2,2,0) |
| 81.18 | 1.1849 | 2.0 | (3,1,0) |
| 84.59 | 1.1456 | 3.5 | (2,2,1) |
| 85.04 | 1.1406 | 8.8 | (0,0,2) |
| 89.45 | 1.0955 | 19.5 | (3,0,1) |
Energy Properties
Formation Energy/atom
0.05055
eV/atom
Energy/atom
-3.68887
eV/atom
Energy above Hull
0.0506
eV/atom
Uncorrected Energy
-3.6889
eV/atom
Volume/atom
8.01
ų
c/a Ratio
0.6089
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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 · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.539
Family
Pure Metal
Matrix Element
Be · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008501
Reference Citation
The crystal structure and related material properties of Be were obtained from the Materials Project database (MP-ID: mp-1008501, 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_Be
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74681400
_cell_length_b 3.74681400
_cell_length_c 2.28128000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be
_chemical_formula_sum Be4
_cell_volume 32.02601197
_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 0.29740800 0.29740800 0.00000000 1.0
Be Be1 1 0.70259200 0.70259200 0.00000000 1.0
Be Be2 1 0.20259200 0.79740800 0.50000000 1.0
Be Be3 1 0.79740800 0.20259200 0.50000000 1.0
