HfBe
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018057 · Space group: Cmcm (#63)
Basic Information
Formula
HfBe
MP-ID
mp-1018057
Elements
2
Sites
4
Density
10.0567
g/cm³
Volume
61.92
ų
Cell a
3.3028
Å
Cell b
3.7293
Å
Cell c
5.2915
Å
α Angle
90.00
°
β Angle
71.82
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.64 | 5.0273 | 17.4 | (0,0,1) |
| 28.45 | 3.1378 | 39.8 | (1,0,1) |
| 29.83 | 2.9952 | 100.0 | (0,1,1) |
| 35.72 | 2.5136 | 23.0 | (0,0,2) |
| 37.46 | 2.4010 | 87.9 | (1,1,1) |
| 38.26 | 2.3524 | 28.7 | (1,0,2) |
| 38.26 | 2.3524 | 28.7 | (1,0,-1) |
| 43.41 | 2.0844 | 17.6 | (0,1,2) |
| 45.59 | 1.9897 | 7.6 | (1,1,2) |
| 48.84 | 1.8646 | 16.3 | (0,2,0) |
| 52.33 | 1.7483 | 2.2 | (0,2,1) |
| 54.78 | 1.6758 | 7.2 | (0,0,3) |
| 55.66 | 1.6514 | 11.1 | (2,0,1) |
| 57.49 | 1.6030 | 11.5 | (1,2,1) |
| 59.23 | 1.5601 | 16.2 | (1,1,3) |
| 59.23 | 1.5601 | 16.2 | (1,1,-2) |
| 60.58 | 1.5285 | 5.4 | (0,1,3) |
| 61.97 | 1.4976 | 9.4 | (0,2,2) |
| 63.68 | 1.4613 | 26.1 | (1,2,2) |
| 64.43 | 1.4461 | 22.9 | (2,1,2) |
| 67.91 | 1.3802 | 3.6 | (2,0,3) |
| 67.91 | 1.3802 | 3.6 | (2,0,-1) |
| 71.65 | 1.3172 | 4.6 | (1,0,4) |
| 71.65 | 1.3172 | 4.6 | (1,0,-3) |
Energy Properties
Formation Energy/atom
-0.07855
eV/atom
Energy/atom
-6.92685
eV/atom
Energy above Hull
0.0591
eV/atom
Uncorrected Energy
-24.8509
eV/atom
Volume/atom
15.48
ų
c/a Ratio
1.6022
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5186
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.008380
μB/ų
Elastic Properties
KVRH
116.852
GPa
GVRH
67.239
GPa
Young's Modulus E
169.253
GPa
Poisson Ratio ν
0.259
Pugh Ratio K/G
1.738
Vickers Hardness Est.
9.285
GPa
Ductility
Ductile
Anisotropy
0.551
Lame λ
72.026
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.585
Family
Binary Alloy
Matrix Element
Hf · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5510
Homogeneous Poisson ν
0.2590
Debye Temperature
343.2
K
Sound Velocity
2,873.6
m/s
Homogeneity
0.2590
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018057
Reference Citation
The crystal structure and related material properties of HfBe were obtained from the Materials Project database (MP-ID: mp-1018057, 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_HfBe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30274715
_cell_length_b 3.72927786
_cell_length_c 5.29152796
_cell_angle_alpha 90.00000000
_cell_angle_beta 71.81544214
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfBe
_chemical_formula_sum 'Hf2 Be2'
_cell_volume 61.91993042
_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
Hf Hf0 1 0.15104174 0.75000000 0.69791552 1.0
Hf Hf1 1 0.84895826 0.25000000 0.30208448 1.0
Be Be2 1 0.43974267 0.75000000 0.12051566 1.0
Be Be3 1 0.56025733 0.25000000 0.87948434 1.0
