Basic Information
Formula
BiPd
MP-ID
mp-1008488
Elements
2
Sites
4
Density
11.5830
g/cm³
Volume
90.43
ų
Cell a
4.2804
Å
Cell b
4.2813
Å
Cell c
5.6978
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.99
°
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 |
|---|---|---|---|
| 28.73 | 3.1078 | 50.0 | (0,1,-1,1) |
| 28.73 | 3.1074 | 100.0 | (1,0,-1,1) |
| 31.40 | 2.8489 | 5.9 | (0,0,0,2) |
| 39.91 | 2.2591 | 29.5 | (0,1,-1,2) |
| 39.91 | 2.2589 | 58.8 | (1,0,-1,2) |
| 42.22 | 2.1406 | 55.9 | (1,1,-2,0) |
| 42.23 | 2.1402 | 27.9 | (2,-1,-1,0) |
| 51.86 | 1.7630 | 10.2 | (0,2,-2,1) |
| 51.87 | 1.7627 | 20.2 | (2,0,-2,1) |
| 53.55 | 1.7114 | 5.9 | (1,1,-2,2) |
| 53.56 | 1.7111 | 3.0 | (2,-1,-1,2) |
| 54.27 | 1.6904 | 8.9 | (0,1,-1,3) |
| 54.27 | 1.6903 | 17.8 | (1,0,-1,3) |
| 59.49 | 1.5539 | 9.1 | (0,2,-2,2) |
| 59.50 | 1.5537 | 18.3 | (2,0,-2,2) |
| 65.53 | 1.4245 | 7.7 | (0,0,0,4) |
| 69.01 | 1.3609 | 8.8 | (1,2,-3,1) |
| 69.02 | 1.3608 | 8.9 | (2,1,-3,1) |
| 69.03 | 1.3606 | 8.8 | (3,-1,-2,1) |
| 71.05 | 1.3267 | 4.1 | (0,2,-2,3) |
| 71.06 | 1.3265 | 8.2 | (2,0,-2,3) |
| 75.62 | 1.2575 | 9.1 | (1,2,-3,2) |
| 75.63 | 1.2574 | 9.1 | (2,1,-3,2) |
| 75.64 | 1.2573 | 9.1 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-0.29946
eV/atom
Energy/atom
-41.03082
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.0308
eV/atom
Volume/atom
22.61
ų
c/a Ratio
1.3311
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
89.644
GPa
GVRH
25.074
GPa
Young's Modulus E
68.807
GPa
Poisson Ratio ν
0.372
Pugh Ratio K/G
3.575
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.598
Lame λ
72.928
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Bi · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Bi · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008488
Reference Citation
The crystal structure and related material properties of BiPd were obtained from the Materials Project database (MP-ID: mp-1008488, 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_BiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28038814
_cell_length_b 4.28124528
_cell_length_c 5.69779915
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99337735
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiPd
_chemical_formula_sum 'Bi2 Pd2'
_cell_volume 90.43155710
_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
Bi Bi0 1 0.33327465 0.66654830 0.25000000 1.0
Bi Bi1 1 0.66672535 0.33345170 0.75000000 1.0
Pd Pd2 1 0.00000000 0.00000000 0.50000000 1.0
Pd Pd3 1 0.00000000 -0.00000000 0.00000000 1.0
