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U8Bi2O19

High-Entropy Materials HEA

MP-ID: mp-677724 · Space group: P1 (#1)

Basic Information

Formula
U8Bi2O19
MP-ID
mp-677724
Elements
3
Sites
29
Density
10.7924
g/cm³
Volume
404.07
ų
Cell a
3.8350
Å
Cell b
3.8347
Å
Cell c
27.4763
Å
α Angle
89.98
°
β Angle
89.94
°
γ Angle
90.00
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
3.22 27.4763 9.9 (0,0,1)
6.43 13.7382 1.9 (0,0,2)
28.36 3.1465 100.0 (1,0,5)
28.38 3.1453 99.9 (0,1,5)
28.39 3.1441 99.9 (0,1,-5)
28.39 3.1433 99.7 (1,0,-5)
32.59 2.7476 51.8 (0,0,10)
33.03 2.7117 49.7 (1,1,0)
33.03 2.7116 49.7 (1,-1,0)
47.06 1.9311 32.7 (1,1,10)
47.07 1.9305 32.6 (1,-1,10)
47.10 1.9295 32.6 (1,-1,-10)
47.11 1.9290 32.5 (1,1,-10)
47.41 1.9175 32.2 (2,0,0)
47.42 1.9173 32.2 (0,2,0)
55.58 1.6536 16.1 (1,0,15)
55.59 1.6531 16.0 (0,1,15)
55.61 1.6526 16.0 (0,1,-15)
55.63 1.6522 15.9 (1,0,-15)
56.16 1.6378 15.6 (2,1,5)
56.17 1.6375 15.6 (1,2,5)
56.17 1.6375 15.6 (2,-1,5)
56.19 1.6371 15.6 (1,-2,5)
56.19 1.6370 15.6 (1,-2,-5)
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Energy Properties

Formation Energy/atom
-3.36547
eV/atom
Energy/atom
-9.99039
eV/atom
Energy above Hull
0.1031
eV/atom
Uncorrected Energy
-9.5403
eV/atom
Volume/atom
13.93
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
14.5983
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.036130
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.655
Element Family
Metalloid-Nonmetal
Solute Fraction
0.345
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8167
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.7904
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.098%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9305
smaller = more stable mixing
VEC
4.095
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7434
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-677724
Reference Citation

The crystal structure and related material properties of U8Bi2O19 were obtained from the Materials Project database (MP-ID: mp-677724, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_U8Bi2O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83503800
_cell_length_b   3.83467701
_cell_length_c   27.47633195
_cell_angle_alpha   89.97713734
_cell_angle_beta   89.93670764
_cell_angle_gamma   89.99651863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U8Bi2O19
_chemical_formula_sum   'U8 Bi2 O19'
_cell_volume   404.07028620
_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
  U  U0  1  0.99725900  0.00164200  0.79937900  1.0
  U  U1  1  0.50126000  0.50387500  0.69919300  1.0
  U  U2  1  0.99954500  0.00313300  0.59963400  1.0
  U  U3  1  0.49941500  0.50062400  0.49984700  1.0
  U  U4  1  0.00015200  0.99810800  0.39983300  1.0
  U  U5  1  0.49904500  0.49886800  0.30000700  1.0
  U  U6  1  0.99959000  0.00033300  0.20042000  1.0
  U  U7  1  0.50208400  0.49871600  0.10026300  1.0
  Bi  Bi8  1  0.00406400  0.99640200  0.99833700  1.0
  Bi  Bi9  1  0.49101900  0.49828600  0.90105500  1.0
  O  O10  1  0.50037700  0.00427600  0.64889700  1.0
  O  O11  1  0.99842700  0.50277100  0.54987700  1.0
  O  O12  1  0.50073700  0.99899000  0.44979700  1.0
  O  O13  1  0.99930500  0.49733800  0.34993400  1.0
  O  O14  1  0.49854100  0.99987200  0.25066400  1.0
  O  O15  1  0.00122900  0.50015100  0.15247600  1.0
  O  O16  1  0.50125800  0.00010700  0.15258400  1.0
  O  O17  1  0.50292700  0.99673900  0.05683200  1.0
  O  O18  1  0.00341400  0.49644100  0.05775300  1.0
  O  O19  1  0.49293600  0.99873500  0.84250000  1.0
  O  O20  1  0.50398600  0.99765400  0.94941100  1.0
  O  O21  1  0.99263400  0.49981200  0.84259600  1.0
  O  O22  1  0.00135500  0.50367900  0.74752600  1.0
  O  O23  1  0.50129900  0.00397100  0.74690800  1.0
  O  O24  1  0.00067000  0.50428700  0.64928100  1.0
  O  O25  1  0.49847200  0.00198600  0.54969400  1.0
  O  O26  1  0.00058700  0.49857800  0.44986600  1.0
  O  O27  1  0.50007000  0.99803600  0.34997800  1.0
  O  O28  1  0.99848000  0.50027600  0.25058600  1.0
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