Ba2Mn11CrO24

High-Entropy Materials HEA

MP-ID: mp-3305574 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ba2Mn11CrO24

MP-ID

mp-3305574

Elements

Sites

Density

5.1797

g/cm³

Volume

421.56

Å³

Cell a

8.1548

Cell b

8.1548

Cell c

9.7575

α Angle

54.05

β Angle

54.05

γ Angle

64.48

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Monoclinic C

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.53	6.5443	8.2	(1,0,0)
13.64	6.4933	9.4	(1,0,1)
17.86	4.9657	4.6	(1,1,0)
18.19	4.8779	9.4	(1,1,2)
20.42	4.3502	26.2	(1,-1,0)
22.41	3.9680	1.8	(1,0,-1)
22.60	3.9339	2.5	(1,0,2)
22.68	3.9214	2.5	(2,1,1)
22.87	3.8885	2.0	(2,1,2)
24.06	3.6984	35.7	(1,-1,1)
24.19	3.6794	33.9	(2,0,1)
25.36	3.5123	31.1	(0,0,2)
25.84	3.4483	29.0	(2,2,2)
27.25	3.2722	25.1	(2,0,0)
27.47	3.2467	23.4	(2,0,2)
28.31	3.1526	51.9	(1,1,-1)
28.63	3.1175	97.8	(2,2,1)
28.73	3.1074	100.0	(1,1,3)
28.86	3.0941	1.5	(2,1,0)
29.05	3.0738	52.1	(2,2,3)
29.32	3.0461	1.0	(2,1,3)
32.15	2.7839	6.4	(2,-1,0)
32.20	2.7799	6.4	(2,-1,1)
32.77	2.7328	15.4	(1,-1,2)

Get direct link

Energy Properties

Formation Energy/atom

-2.29071

eV/atom

Energy/atom

-12.10466

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.1047

eV/atom

Volume/atom

11.09

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

39.0025

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.092520

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.632

Element Family

Metalloid-Nonmetal

Solute Fraction

0.368

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8998

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4808

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9641

smaller = more stable mixing

VEC

4.816

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6491

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahgbxm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3305574

Reference Citation

The crystal structure and related material properties of Ba2Mn11CrO24 were obtained from the Materials Project database (MP-ID: mp-3305574, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ba2Mn11CrO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15481269
_cell_length_b   8.15481294
_cell_length_c   9.75745420
_cell_angle_alpha   54.05165581
_cell_angle_beta   54.05165651
_cell_angle_gamma   64.47762404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Mn11CrO24
_chemical_formula_sum   'Ba2 Mn11 Cr1 O24'
_cell_volume   421.55679184
_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
  Ba  Ba0  1  0.71568163  0.28592952  0.99867788  1.0
  Ba  Ba1  1  0.28592952  0.71568163  0.99867788  1.0
  Mn  Mn2  1  0.00152168  0.67093195  0.81599068  1.0
  Mn  Mn3  1  0.67093195  0.00152168  0.81599068  1.0
  Mn  Mn4  1  0.99936125  0.33084242  0.18170245  1.0
  Mn  Mn5  1  0.66383445  0.66383445  0.18542100  1.0
  Mn  Mn6  1  0.33084242  0.99936125  0.18170245  1.0
  Mn  Mn7  1  0.14973333  0.14973333  0.51612749  1.0
  Mn  Mn8  1  0.47951186  0.81523524  0.52028318  1.0
  Mn  Mn9  1  0.81523524  0.47951186  0.52028318  1.0
  Mn  Mn10  1  0.85069078  0.85069078  0.48146668  1.0
  Mn  Mn11  1  0.18695668  0.51633083  0.47963762  1.0
  Mn  Mn12  1  0.51633083  0.18695668  0.47963762  1.0
  Cr  Cr13  1  0.33699320  0.33699320  0.81618271  1.0
  O  O14  1  0.34867402  0.34867402  0.60562297  1.0
  O  O15  1  0.01118243  0.67175551  0.61530091  1.0
  O  O16  1  0.67175551  0.01118243  0.61530091  1.0
  O  O17  1  0.99125131  0.32407791  0.38362188  1.0
  O  O18  1  0.64972988  0.64972988  0.39338927  1.0
  O  O19  1  0.32407791  0.99125131  0.38362188  1.0
  O  O20  1  0.34626863  0.34626863  0.34448852  1.0
  O  O21  1  0.01076492  0.67054181  0.35772485  1.0
  O  O22  1  0.67054181  0.01076492  0.35772485  1.0
  O  O23  1  0.99831494  0.32006752  0.64169018  1.0
  O  O24  1  0.65370655  0.65370655  0.64902724  1.0
  O  O25  1  0.32006752  0.99831494  0.64169018  1.0
  O  O26  1  0.63254473  0.28653780  0.72301250  1.0
  O  O27  1  0.28653780  0.63254473  0.72301250  1.0
  O  O28  1  0.95894056  0.95894056  0.71097001  1.0
  O  O29  1  0.71083412  0.37361667  0.27958065  1.0
  O  O30  1  0.37361667  0.71083412  0.27958065  1.0
  O  O31  1  0.04343685  0.04343685  0.28337126  1.0
  O  O32  1  0.95699039  0.62790170  0.06104397  1.0
  O  O33  1  0.62790170  0.95699039  0.06104397  1.0
  O  O34  1  0.29667769  0.29667769  0.05719166  1.0
  O  O35  1  0.37435131  0.03525373  0.94822239  1.0
  O  O36  1  0.03525373  0.37435131  0.94822239  1.0
  O  O37  1  0.70302419  0.70302419  0.94376189  1.0

Get direct link