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Cd3(BiO2)10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675991 · Space group: C2 (#5)

Basic Information

Formula
Cd3(BiO2)10
MP-ID
mp-675991
Elements
3
Sites
33
Density
8.4617
g/cm³
Volume
539.08
ų
Cell a
8.8387
Å
Cell b
8.8387
Å
Cell c
10.3299
Å
α Angle
54.83
°
β Angle
54.83
°
γ Angle
69.48
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
12.01 7.3678 1.6 (0,0,1)
12.19 7.2630 1.2 (1,1,1)
17.61 5.0370 8.5 (1,-1,0)
21.01 4.2275 8.3 (1,0,-1)
21.05 4.2210 5.6 (1,0,2)
21.22 4.1876 2.0 (2,1,1)
21.37 4.1581 2.5 (1,-1,1)
24.16 3.6839 18.0 (0,0,2)
24.51 3.6315 34.3 (2,2,2)
24.65 3.6113 11.3 (2,0,0)
24.69 3.6059 17.7 (2,0,2)
27.11 3.2895 14.5 (1,1,-1)
27.18 3.2814 49.1 (1,1,3)
27.30 3.2669 96.4 (2,1,0)
27.35 3.2613 13.7 (2,2,1)
27.38 3.2579 14.9 (2,1,3)
27.41 3.2533 61.5 (2,2,3)
27.93 3.1944 25.4 (2,-1,0)
27.94 3.1934 100.0 (2,-1,1)
30.05 2.9735 64.8 (1,-1,2)
30.34 2.9457 27.5 (3,1,2)
32.22 2.7780 2.2 (1,0,-2)
32.26 2.7749 40.0 (1,0,3)
32.51 2.7542 34.3 (2,0,-1)
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Energy Properties

Formation Energy/atom
-1.41796
eV/atom
Energy/atom
-5.68280
eV/atom
Energy above Hull
0.1217
eV/atom
Uncorrected Energy
-5.2664
eV/atom
Volume/atom
16.34
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
3.8623
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.007160
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.606
Element Family
Metalloid-Nonmetal
Solute Fraction
0.394
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8833
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.3436
J/mol·K
Ω Parameter
1.4235
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
48.599%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7362
smaller = more stable mixing
VEC
5.030
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.301
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8040
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.499
Family
O-rich Multi-Component
Matrix Element
O · 0.606

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-675991
Reference Citation

The crystal structure and related material properties of Cd3(BiO2)10 were obtained from the Materials Project database (MP-ID: mp-675991, 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_Cd3(BiO2)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83868085
_cell_length_b   8.83868085
_cell_length_c   10.32987730
_cell_angle_alpha   54.83332771
_cell_angle_beta   54.83332771
_cell_angle_gamma   69.48323614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3(BiO2)10
_chemical_formula_sum   'Cd3 Bi10 O20'
_cell_volume   539.08010047
_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
  Cd  Cd0  1  0.99969700  0.00030300  0.00000000  1.0
  Cd  Cd1  1  0.32055700  0.30715200  0.86894000  1.0
  Cd  Cd2  1  0.69284800  0.67944300  0.13106000  1.0
  Bi  Bi3  1  0.18082700  0.82633500  0.68134400  1.0
  Bi  Bi4  1  0.13310300  0.50121400  0.18948900  1.0
  Bi  Bi5  1  0.17366500  0.81917300  0.31865600  1.0
  Bi  Bi6  1  0.33926400  0.32947400  0.50088800  1.0
  Bi  Bi7  1  0.50260600  0.13492600  0.17612200  1.0
  Bi  Bi8  1  0.49878600  0.86689700  0.81051100  1.0
  Bi  Bi9  1  0.67052600  0.66073600  0.49911200  1.0
  Bi  Bi10  1  0.81435300  0.15762200  0.70282500  1.0
  Bi  Bi11  1  0.86507400  0.49739400  0.82387800  1.0
  Bi  Bi12  1  0.84237800  0.18564700  0.29717500  1.0
  O  O13  1  0.00208700  0.73439300  0.01037900  1.0
  O  O14  1  0.25597500  0.27420400  0.37579200  1.0
  O  O15  1  0.98252000  0.26267000  0.75541600  1.0
  O  O16  1  0.11725600  0.62669400  0.61269100  1.0
  O  O17  1  0.00182400  0.65007400  0.34947600  1.0
  O  O18  1  0.37330600  0.88274400  0.38730900  1.0
  O  O19  1  0.24797100  0.24175400  0.14028100  1.0
  O  O20  1  0.36703500  0.61324100  0.74240600  1.0
  O  O21  1  0.26560700  0.99791300  0.98962100  1.0
  O  O22  1  0.38675900  0.63296500  0.25759400  1.0
  O  O23  1  0.64462500  0.00145500  0.00430200  1.0
  O  O24  1  0.62313500  0.36584000  0.26575300  1.0
  O  O25  1  0.63416000  0.37686500  0.73424700  1.0
  O  O26  1  0.34992600  0.99817600  0.65052400  1.0
  O  O27  1  0.61906000  0.12484500  0.63769800  1.0
  O  O28  1  0.75824600  0.75202900  0.85971900  1.0
  O  O29  1  0.72579600  0.74402500  0.62420800  1.0
  O  O30  1  0.87515500  0.38094000  0.36230200  1.0
  O  O31  1  0.73733000  0.01748000  0.24458400  1.0
  O  O32  1  0.99854500  0.35537500  0.99569800  1.0
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