Ac3Ho7Pb8
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292109 · Space group: P2_1 (#4)
Basic Information
Formula
Ac3Ho7Pb8
MP-ID
mp-3292109
Elements
3
Sites
36
Density
10.3161
g/cm³
Volume
1,124.54
ų
Cell a
8.3552
Å
Cell b
8.4509
Å
Cell c
15.9263
Å
α Angle
90.13
°
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 |
|---|---|---|---|
| 11.11 | 7.9631 | 3.8 | (0,0,2) |
| 14.91 | 5.9416 | 1.8 | (1,1,0) |
| 18.62 | 4.7657 | 2.6 | (1,1,-2) |
| 22.33 | 3.9816 | 1.7 | (0,0,4) |
| 22.44 | 3.9619 | 6.0 | (1,1,-3) |
| 22.48 | 3.9556 | 5.7 | (1,1,3) |
| 23.59 | 3.7707 | 4.0 | (1,2,0) |
| 23.82 | 3.7360 | 1.3 | (0,2,-2) |
| 23.86 | 3.7290 | 2.1 | (0,2,2) |
| 24.25 | 3.6709 | 1.7 | (1,2,-1) |
| 24.42 | 3.6448 | 2.3 | (2,1,1) |
| 26.13 | 3.4106 | 1.2 | (1,2,-2) |
| 26.17 | 3.4053 | 1.1 | (1,2,2) |
| 26.29 | 3.3903 | 9.5 | (2,1,-2) |
| 26.31 | 3.3876 | 7.3 | (2,1,2) |
| 26.94 | 3.3100 | 2.3 | (1,1,-4) |
| 29.02 | 3.0771 | 95.3 | (1,2,-3) |
| 29.08 | 3.0712 | 87.2 | (1,2,3) |
| 29.17 | 3.0616 | 60.0 | (2,1,-3) |
| 29.20 | 3.0588 | 68.6 | (2,1,3) |
| 29.96 | 2.9828 | 1.2 | (0,1,-5) |
| 30.08 | 2.9708 | 47.6 | (2,2,0) |
| 30.60 | 2.9213 | 6.5 | (2,2,-1) |
| 30.62 | 2.9196 | 10.1 | (2,2,1) |
Energy Properties
Formation Energy/atom
-0.75194
eV/atom
Energy/atom
-49.99432
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-49.9943
eV/atom
Volume/atom
31.24
ų
c/a Ratio
1.9061
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0077
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0263
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5329
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.180%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5677
smaller = more stable mixing
VEC
6.389
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9342
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.578
Family
Pb-rich Multi-Component
Matrix Element
Pb · 0.444
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292109
Reference Citation
The crystal structure and related material properties of Ac3Ho7Pb8 were obtained from the Materials Project database (MP-ID: mp-3292109, 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_Ac3Ho7Pb8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.35522566
_cell_length_b 8.45092368
_cell_length_c 15.92626587
_cell_angle_alpha 90.12926438
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac3Ho7Pb8
_chemical_formula_sum 'Ac6 Ho14 Pb16'
_cell_volume 1124.54080810
_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
Ac Ac0 1 0.48325744 0.67835323 0.90713131 1.0
Ac Ac1 1 0.98325744 0.82164677 0.59286869 1.0
Ac Ac2 1 0.98089895 0.82664747 0.90668689 1.0
Ac Ac3 1 0.48089895 0.67335253 0.59331311 1.0
Ac Ac4 1 0.51669934 0.32085189 0.09560319 1.0
Ac Ac5 1 0.01669934 0.17914811 0.40439681 1.0
Ho Ho6 1 0.85336638 0.65536361 0.12508170 1.0
Ho Ho7 1 0.35336638 0.84463639 0.37491830 1.0
Ho Ho8 1 0.64263600 0.15459067 0.87824995 1.0
Ho Ho9 1 0.14263600 0.34540933 0.62175005 1.0
Ho Ho10 1 0.14207377 0.34109842 0.87756747 1.0
Ho Ho11 1 0.64207377 0.15890158 0.62243253 1.0
Ho Ho12 1 0.35510616 0.84803142 0.12606998 1.0
Ho Ho13 1 0.85510616 0.65196858 0.37393002 1.0
Ho Ho14 1 0.02512982 0.17744052 0.10358225 1.0
Ho Ho15 1 0.52512982 0.32255948 0.39641775 1.0
Ho Ho16 1 0.69238185 0.99759979 0.24992035 1.0
Ho Ho17 1 0.19238185 0.50240021 0.25007965 1.0
Ho Ho18 1 0.80758014 0.49421074 0.74916684 1.0
Ho Ho19 1 0.30758014 0.00578926 0.75083316 1.0
Pb Pb20 1 0.04943101 0.86679829 0.24888628 1.0
Pb Pb21 1 0.54943101 0.63320171 0.25111372 1.0
Pb Pb22 1 0.44966004 0.36285244 0.75221396 1.0
Pb Pb23 1 0.94966004 0.13714756 0.74778604 1.0
Pb Pb24 1 0.83231465 0.34850799 0.24603136 1.0
Pb Pb25 1 0.33231465 0.15149201 0.25396864 1.0
Pb Pb26 1 0.66843223 0.85440272 0.74994312 1.0
Pb Pb27 1 0.16843223 0.64559728 0.75005688 1.0
Pb Pb28 1 0.81061236 0.44903888 0.95627216 1.0
Pb Pb29 1 0.31061236 0.05096112 0.54372784 1.0
Pb Pb30 1 0.70693811 0.96223279 0.04976789 1.0
Pb Pb31 1 0.20693811 0.53776721 0.45023211 1.0
Pb Pb32 1 0.18767471 0.54158033 0.04770728 1.0
Pb Pb33 1 0.68767471 0.95841967 0.45229272 1.0
Pb Pb34 1 0.29580606 0.05136319 0.96131844 1.0
Pb Pb35 1 0.79580606 0.44863681 0.53868156 1.0
