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Tb2Bi2Os2O11

High-Entropy Materials HEA

MP-ID: mp-3297537 · Space group: P-1 (#2)

Basic Information

Formula
Tb2Bi2Os2O11
MP-ID
mp-3297537
Elements
4
Sites
34
Density
9.3315
g/cm³
Volume
459.91
ų
Cell a
6.4967
Å
Cell b
7.4939
Å
Cell c
9.6371
Å
α Angle
101.33
°
β Angle
91.31
°
γ Angle
90.03
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
Yes
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
18.79 4.7233 16.4 (0,0,2)
19.51 4.5495 1.4 (1,-1,1)
21.42 4.1479 1.2 (1,-1,-1)
21.78 4.0799 1.2 (1,1,1)
24.28 3.6658 1.3 (1,1,-2)
27.47 3.2475 4.0 (2,0,0)
27.84 3.2052 19.6 (1,2,-1)
27.84 3.2048 19.8 (1,-2,0)
27.93 3.1944 46.7 (1,-2,1)
27.96 3.1907 47.5 (1,2,0)
28.34 3.1489 100.0 (0,0,3)
28.86 3.0934 89.8 (2,0,-1)
30.83 2.9005 14.0 (1,2,-2)
30.86 2.8972 14.7 (1,-2,-1)
31.12 2.8742 39.6 (1,-2,2)
31.18 2.8686 38.0 (1,2,1)
31.87 2.8078 2.1 (1,0,3)
32.55 2.7506 1.1 (2,1,1)
33.11 2.7057 3.9 (2,0,-2)
33.86 2.6473 48.8 (2,0,2)
36.25 2.4784 27.6 (1,2,-3)
36.31 2.4744 26.9 (1,-2,-2)
36.67 2.4506 6.7 (1,-2,3)
36.75 2.4453 6.7 (1,2,2)
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Energy Properties

Formation Energy/atom
-2.03207
eV/atom
Energy/atom
-22.68653
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.6865
eV/atom
Volume/atom
13.53
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
2.3917
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.005200
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.647
Element Family
Metalloid-Nonmetal
Solute Fraction
0.353
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0370
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6216
J/mol·K
Ω Parameter
3.4716
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
50.175%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8463
smaller = more stable mixing
VEC
5.176
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.689
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7480
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297537
Reference Citation

The crystal structure and related material properties of Tb2Bi2Os2O11 were obtained from the Materials Project database (MP-ID: mp-3297537, 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_Tb2Bi2Os2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49672578
_cell_length_b   7.49389318
_cell_length_c   9.63714096
_cell_angle_alpha   101.33482818
_cell_angle_beta   91.30655305
_cell_angle_gamma   90.03255966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Bi2Os2O11
_chemical_formula_sum   'Tb4 Bi4 Os4 O22'
_cell_volume   459.91449950
_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
  Tb  Tb0  1  0.74437731  0.36904101  0.48179571  1.0
  Tb  Tb1  1  0.25562269  0.63095899  0.51820429  1.0
  Tb  Tb2  1  0.75637467  0.87234111  0.49071838  1.0
  Tb  Tb3  1  0.24362533  0.12765889  0.50928162  1.0
  Bi  Bi4  1  0.46330062  0.95729220  0.81941933  1.0
  Bi  Bi5  1  0.53669938  0.04270780  0.18058067  1.0
  Bi  Bi6  1  0.40054360  0.45665154  0.82715837  1.0
  Bi  Bi7  1  0.59945640  0.54334846  0.17284163  1.0
  Os  Os8  1  0.93111928  0.70250552  0.80670795  1.0
  Os  Os9  1  0.06888072  0.29749448  0.19329205  1.0
  Os  Os10  1  0.93272211  0.20078948  0.80542096  1.0
  Os  Os11  1  0.06727789  0.79921052  0.19457904  1.0
  O  O12  1  0.22678660  0.72164438  0.75986782  1.0
  O  O13  1  0.77321340  0.27835562  0.24013218  1.0
  O  O14  1  0.63669936  0.67671489  0.83568123  1.0
  O  O15  1  0.36330064  0.32328511  0.16431877  1.0
  O  O16  1  0.63808868  0.24251204  0.83438912  1.0
  O  O17  1  0.36191132  0.75748796  0.16561088  1.0
  O  O18  1  0.89596158  0.16062992  0.59143634  1.0
  O  O19  1  0.10403842  0.83937008  0.40856366  1.0
  O  O20  1  0.22608821  0.15776108  0.75534770  1.0
  O  O21  1  0.77391179  0.84223892  0.24465230  1.0
  O  O22  1  0.89688919  0.63487204  0.59637312  1.0
  O  O23  1  0.10311081  0.36512796  0.40362688  1.0
  O  O24  1  0.00825467  0.54587857  0.18466369  1.0
  O  O25  1  0.99174533  0.45412143  0.81533631  1.0
  O  O26  1  0.99836867  0.78285856  0.00147366  1.0
  O  O27  1  0.00163133  0.21714144  0.99852634  1.0
  O  O28  1  0.57003712  0.59924923  0.39469472  1.0
  O  O29  1  0.42996288  0.40075077  0.60530528  1.0
  O  O30  1  0.15399118  0.05635986  0.22681080  1.0
  O  O31  1  0.84600882  0.94364014  0.77318920  1.0
  O  O32  1  0.54465932  0.10085206  0.40157567  1.0
  O  O33  1  0.45534068  0.89914794  0.59842433  1.0
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