HoNiBi
弹性数据 ELAMP-ID: mp-1018139 · Space group: F-43m (#216)
Basic Information
Formula
HoNiBi
MP-ID
mp-1018139
Elements
3
Sites
3
Density
10.8875
g/cm³
Volume
65.98
ų
Cell a
4.5357
Å
Cell b
4.5357
Å
Cell c
4.5357
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.03 | 3.7034 | 8.0 | (1,1,1) |
| 27.82 | 3.2072 | 62.0 | (1,1,0) |
| 39.75 | 2.2678 | 100.0 | (2,1,1) |
| 46.98 | 1.9340 | 4.1 | (2,2,1) |
| 49.21 | 1.8517 | 18.1 | (2,2,2) |
| 57.47 | 1.6036 | 17.1 | (2,2,0) |
| 63.19 | 1.4716 | 1.7 | (3,2,2) |
| 65.03 | 1.4343 | 24.3 | (3,2,1) |
| 72.14 | 1.3093 | 34.9 | (3,3,2) |
| 77.29 | 1.2345 | 1.3 | (3,3,3) |
| 85.67 | 1.1339 | 11.4 | (4,2,2) |
Energy Properties
Formation Energy/atom
-0.66176
eV/atom
Energy/atom
-5.41771
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.2023
eV/atom
Volume/atom
21.99
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.193
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
81.591
GPa
GVRH
50.118
GPa
Young's Modulus E
124.801
GPa
Poisson Ratio ν
0.245
Pugh Ratio K/G
1.628
Vickers Hardness Est.
8.166
GPa
Ductility
Ductile
Anisotropy
0.154
Lame λ
48.179
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1540
Homogeneous Poisson ν
0.2450
Debye Temperature
296.8
K
Sound Velocity
2,380.6
m/s
Homogeneity
0.2450
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018139
Reference Citation
The crystal structure and related material properties of HoNiBi were obtained from the Materials Project database (MP-ID: mp-1018139, 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_HoNiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53568466
_cell_length_b 4.53568466
_cell_length_c 4.53568466
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoNiBi
_chemical_formula_sum 'Ho1 Ni1 Bi1'
_cell_volume 65.98018985
_cell_formula_units_Z 1
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
Ho Ho0 1 0.50000000 0.50000000 0.50000000 1.0
Ni Ni1 1 0.75000000 0.75000000 0.75000000 1.0
Bi Bi2 1 -0.00000000 -0.00000000 -0.00000000 1.0
