Pr4Ho6BiPb7
High-Entropy Materials HEAMP-ID: mp-3292402 · Space group: P2_1 (#4)
Basic Information
Formula
Pr4Ho6BiPb7
MP-ID
mp-3292402
Elements
4
Sites
36
Density
9.8033
g/cm³
Volume
1,088.34
ų
Cell a
8.3021
Å
Cell b
8.3708
Å
Cell c
15.6606
Å
α Angle
90.03
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 11.30 | 7.8303 | 13.6 | (0,0,2) |
| 11.99 | 7.3839 | 2.3 | (0,1,-1) |
| 11.99 | 7.3808 | 2.9 | (0,1,1) |
| 15.03 | 5.8946 | 6.6 | (1,1,0) |
| 18.84 | 4.7102 | 2.3 | (1,1,-2) |
| 18.85 | 4.7086 | 2.4 | (1,1,2) |
| 21.23 | 4.1854 | 4.1 | (0,2,0) |
| 21.41 | 4.1511 | 8.3 | (2,0,0) |
| 22.15 | 4.0125 | 1.5 | (2,0,1) |
| 22.71 | 3.9152 | 7.3 | (0,0,4) |
| 22.75 | 3.9087 | 8.8 | (1,1,-3) |
| 22.76 | 3.9073 | 9.1 | (1,1,3) |
| 23.81 | 3.7373 | 3.3 | (1,2,0) |
| 24.11 | 3.6920 | 4.4 | (0,2,-2) |
| 24.12 | 3.6904 | 4.2 | (0,2,2) |
| 24.27 | 3.6676 | 6.3 | (2,0,2) |
| 26.42 | 3.3734 | 1.2 | (1,2,-2) |
| 26.43 | 3.3723 | 1.6 | (1,2,2) |
| 26.53 | 3.3596 | 14.4 | (2,1,-2) |
| 26.54 | 3.3590 | 14.2 | (2,1,2) |
| 29.39 | 3.0395 | 92.1 | (1,2,-3) |
| 29.40 | 3.0382 | 92.4 | (1,2,3) |
| 29.49 | 3.0292 | 50.1 | (2,1,-3) |
| 29.49 | 3.0286 | 50.0 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.81669
eV/atom
Energy/atom
-43.45014
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.4501
eV/atom
Volume/atom
30.23
ų
c/a Ratio
1.8863
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0021
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.389
Element Family
PostTransition-Noble
Solute Fraction
0.611
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2283
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2122
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.247%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5527
smaller = more stable mixing
VEC
6.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8860
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292402
Reference Citation
The crystal structure and related material properties of Pr4Ho6BiPb7 were obtained from the Materials Project database (MP-ID: mp-3292402, 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_Pr4Ho6BiPb7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30211753
_cell_length_b 8.37079726
_cell_length_c 15.66058484
_cell_angle_alpha 90.02890733
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr4Ho6BiPb7
_chemical_formula_sum 'Pr8 Ho12 Bi2 Pb14'
_cell_volume 1088.33757160
_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
Pr Pr0 1 0.47351086 0.67461959 0.59913656 1.0
Pr Pr1 1 0.97351086 0.82538041 0.90086344 1.0
Pr Pr2 1 0.52919043 0.32341550 0.09951067 1.0
Pr Pr3 1 0.02919043 0.17658450 0.40048933 1.0
Pr Pr4 1 0.52502201 0.32574784 0.40168944 1.0
Pr Pr5 1 0.02502201 0.17425216 0.09831056 1.0
Pr Pr6 1 0.47809218 0.67888419 0.90066194 1.0
Pr Pr7 1 0.97809218 0.82111581 0.59933806 1.0
Ho Ho8 1 0.63525010 0.15876449 0.62375232 1.0
Ho Ho9 1 0.13525010 0.34123551 0.87624768 1.0
Ho Ho10 1 0.36515536 0.84685849 0.12355586 1.0
Ho Ho11 1 0.86515536 0.65314151 0.37644414 1.0
Ho Ho12 1 0.35879508 0.84277476 0.37673321 1.0
Ho Ho13 1 0.85879508 0.65722524 0.12326679 1.0
Ho Ho14 1 0.63646076 0.15695885 0.87691694 1.0
Ho Ho15 1 0.13646076 0.34304115 0.62308306 1.0
Ho Ho16 1 0.80193926 0.49605739 0.75078296 1.0
Ho Ho17 1 0.30193926 0.00394261 0.74921704 1.0
Ho Ho18 1 0.19880073 0.50352929 0.25167577 1.0
Ho Ho19 1 0.69880073 0.99647071 0.24832423 1.0
Bi Bi20 1 0.70654208 0.95827027 0.45557697 1.0
Bi Bi21 1 0.20654208 0.54172973 0.04442303 1.0
Pb Pb22 1 0.29335340 0.04093484 0.95613778 1.0
Pb Pb23 1 0.79335340 0.45906516 0.54386222 1.0
Pb Pb24 1 0.29162405 0.04107252 0.54383259 1.0
Pb Pb25 1 0.79162405 0.45892748 0.95616741 1.0
Pb Pb26 1 0.70591845 0.95947994 0.04367197 1.0
Pb Pb27 1 0.20591845 0.54052006 0.45632803 1.0
Pb Pb28 1 0.44010482 0.36844007 0.75095168 1.0
Pb Pb29 1 0.94010482 0.13155993 0.74904832 1.0
Pb Pb30 1 0.55820072 0.63305960 0.25019165 1.0
Pb Pb31 1 0.05820072 0.86694040 0.24980835 1.0
Pb Pb32 1 0.66278131 0.85011078 0.74910842 1.0
Pb Pb33 1 0.16278131 0.64988922 0.75089158 1.0
Pb Pb34 1 0.33925737 0.15120077 0.24998870 1.0
Pb Pb35 1 0.83925737 0.34879923 0.25001130 1.0
