Ho5Bi3
传统材料 TRAMP-ID: mp-31465 · Space group: Pnma (#62)
Basic Information
Formula
Ho5Bi3
MP-ID
mp-31465
Elements
2
Sites
32
Density
10.4258
g/cm³
Volume
924.80
ų
Cell a
8.1997
Å
Cell b
9.4201
Å
Cell c
11.9728
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
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 |
|---|---|---|---|
| 21.68 | 4.0998 | 2.1 | (2,0,0) |
| 22.93 | 3.8787 | 4.2 | (2,0,1) |
| 23.01 | 3.8655 | 10.7 | (1,2,1) |
| 23.67 | 3.7592 | 2.0 | (2,1,0) |
| 24.04 | 3.7017 | 3.2 | (0,2,2) |
| 24.81 | 3.5885 | 19.5 | (1,0,3) |
| 26.42 | 3.3738 | 1.5 | (1,2,2) |
| 26.58 | 3.3534 | 1.1 | (1,1,3) |
| 29.41 | 3.0373 | 6.5 | (0,3,1) |
| 29.84 | 2.9942 | 88.9 | (2,2,1) |
| 29.85 | 2.9932 | 10.0 | (0,0,4) |
| 31.28 | 2.8597 | 32.1 | (2,0,3) |
| 31.34 | 2.8544 | 76.9 | (1,2,3) |
| 31.41 | 2.8482 | 40.0 | (1,3,1) |
| 31.83 | 2.8117 | 75.3 | (1,0,4) |
| 32.59 | 2.7475 | 100.0 | (2,2,2) |
| 32.73 | 2.7364 | 13.3 | (2,1,3) |
| 33.25 | 2.6943 | 1.5 | (1,1,4) |
| 33.63 | 2.6647 | 35.3 | (3,0,1) |
| 34.04 | 2.6334 | 1.9 | (1,3,2) |
| 34.99 | 2.5641 | 24.7 | (3,1,1) |
| 35.54 | 2.5262 | 32.7 | (0,2,4) |
| 36.03 | 2.4929 | 14.7 | (2,3,0) |
| 36.13 | 2.4863 | 9.1 | (3,0,2) |
Energy Properties
Formation Energy/atom
-0.79614
eV/atom
Energy/atom
-43.28533
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.2853
eV/atom
Volume/atom
28.90
ų
c/a Ratio
1.4602
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.4760
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.001600
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
Ho · 0.625
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31465
Reference Citation
The crystal structure and related material properties of Ho5Bi3 were obtained from the Materials Project database (MP-ID: mp-31465, 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_Ho5Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19968874
_cell_length_b 9.42009770
_cell_length_c 11.97274589
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho5Bi3
_chemical_formula_sum 'Ho20 Bi12'
_cell_volume 924.79727009
_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
Ho Ho0 1 0.35491900 0.75000000 0.21512744 1.0
Ho Ho1 1 0.85491900 0.75000000 0.28487256 1.0
Ho Ho2 1 0.64508100 0.25000000 0.78487256 1.0
Ho Ho3 1 0.14508100 0.25000000 0.71512744 1.0
Ho Ho4 1 0.69339056 0.56421023 0.05899195 1.0
Ho Ho5 1 0.19339056 0.93578977 0.44100805 1.0
Ho Ho6 1 0.30660944 0.06421023 0.94100805 1.0
Ho Ho7 1 0.80660944 0.43578977 0.55899195 1.0
Ho Ho8 1 0.30660944 0.43578977 0.94100805 1.0
Ho Ho9 1 0.80660944 0.06421023 0.55899195 1.0
Ho Ho10 1 0.69339056 0.93578977 0.05899195 1.0
Ho Ho11 1 0.19339056 0.56421023 0.44100805 1.0
Ho Ho12 1 0.47589559 0.25000000 0.48857863 1.0
Ho Ho13 1 0.97589559 0.25000000 0.01142137 1.0
Ho Ho14 1 0.52410441 0.75000000 0.51142137 1.0
Ho Ho15 1 0.02410441 0.75000000 0.98857863 1.0
Ho Ho16 1 0.31468172 0.25000000 0.21787652 1.0
Ho Ho17 1 0.81468172 0.25000000 0.28212348 1.0
Ho Ho18 1 0.68531828 0.75000000 0.78212348 1.0
Ho Ho19 1 0.18531828 0.75000000 0.71787652 1.0
Bi Bi20 1 0.40726156 0.75000000 0.95792949 1.0
Bi Bi21 1 0.90726156 0.75000000 0.54207051 1.0
Bi Bi22 1 0.59273844 0.25000000 0.04206951 1.0
Bi Bi23 1 0.09273844 0.25000000 0.45793049 1.0
Bi Bi24 1 0.56610697 0.99588985 0.32584512 1.0
Bi Bi25 1 0.06610697 0.50411015 0.17415488 1.0
Bi Bi26 1 0.43389303 0.49588985 0.67415488 1.0
Bi Bi27 1 0.93389303 0.00411015 0.82584512 1.0
Bi Bi28 1 0.43389303 0.00411015 0.67415488 1.0
Bi Bi29 1 0.93389303 0.49588985 0.82584512 1.0
Bi Bi30 1 0.56610697 0.50411015 0.32584512 1.0
Bi Bi31 1 0.06610697 0.99588985 0.17415488 1.0
