Navigation

HEAS Data Platform · Materials Science Database

BaCr2AsO10

High-Entropy Materials HEA

MP-ID: mp-1193143 · Space group: P-1 (#2)

Basic Information

Formula
BaCr2AsO10
MP-ID
mp-1193143
Elements
4
Sites
28
Density
3.5906
g/cm³
Volume
440.48
ų
Cell a
7.6163
Å
Cell b
8.2279
Å
Cell c
8.1590
Å
α Angle
62.13
°
β Angle
79.09
°
γ Angle
91.03
°
Space Group
P-1
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
12.59 7.0302 3.0 (0,0,1)
15.30 5.7913 36.5 (1,0,1)
16.04 5.5245 7.8 (1,-1,0)
16.51 5.3697 12.9 (1,1,1)
18.33 4.8411 16.3 (1,-1,-1)
19.23 4.6149 13.3 (1,0,-1)
21.46 4.1408 1.4 (0,1,-1)
21.62 4.1102 1.8 (0,2,1)
22.19 4.0056 2.7 (0,1,2)
22.37 3.9738 19.4 (1,-1,1)
23.18 3.8373 6.9 (1,1,2)
23.98 3.7111 43.8 (2,0,0)
24.49 3.6345 9.9 (2,0,1)
24.66 3.6095 100.0 (0,2,0)
24.67 3.6093 4.1 (1,-2,-1)
24.85 3.5823 29.3 (1,2,1)
25.34 3.5151 24.7 (0,0,2)
25.50 3.4933 51.8 (1,0,2)
25.52 3.4902 29.5 (0,2,2)
25.61 3.4785 43.5 (2,-1,0)
26.00 3.4271 23.8 (2,1,1)
26.69 3.3404 27.7 (1,1,-1)
27.08 3.2923 35.6 (1,2,2)
27.20 3.2784 4.7 (1,-1,-2)
Get direct link

Energy Properties

Formation Energy/atom
-1.82398
eV/atom
Energy/atom
-7.20790
eV/atom
Energy above Hull
0.0772
eV/atom
Uncorrected Energy
-6.4316
eV/atom
Volume/atom
15.73
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
2.0001
μB
Mag. Ordering
FiM
Mag. Sites
6
Magnetization/Volume
0.004540
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.714
Element Family
Metalloid-Nonmetal
Solute Fraction
0.286
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8953
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4438
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.552%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8680
smaller = more stable mixing
VEC
4.071
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6458
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1193143
Reference Citation

The crystal structure and related material properties of BaCr2AsO10 were obtained from the Materials Project database (MP-ID: mp-1193143, 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_BaCr2AsO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61627107
_cell_length_b   8.22793265
_cell_length_c   8.15894623
_cell_angle_alpha   62.13269938
_cell_angle_beta   79.09244216
_cell_angle_gamma   91.02873567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2AsO10
_chemical_formula_sum   'Ba2 Cr4 As2 O20'
_cell_volume   440.48419810
_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
  Ba  Ba0  1  0.25187900  0.71835200  0.86063500  1.0
  Ba  Ba1  1  0.74812100  0.28164800  0.13936500  1.0
  Cr  Cr2  1  0.40892600  0.80773200  0.28343300  1.0
  Cr  Cr3  1  0.59107400  0.19226800  0.71656700  1.0
  Cr  Cr4  1  0.21751700  0.25946200  0.38315500  1.0
  Cr  Cr5  1  0.78248300  0.74053800  0.61684500  1.0
  As  As6  1  0.16655100  0.27416900  0.76988200  1.0
  As  As7  1  0.83344900  0.72583100  0.23011800  1.0
  O  O8  1  0.07247200  0.39363200  0.87526500  1.0
  O  O9  1  0.92752800  0.60636800  0.12473500  1.0
  O  O10  1  0.10649100  0.03742200  0.87785100  1.0
  O  O11  1  0.89350900  0.96257800  0.12214900  1.0
  O  O12  1  0.40167000  0.31286100  0.74564100  1.0
  O  O13  1  0.59833000  0.68713900  0.25435900  1.0
  O  O14  1  0.14379800  0.36663000  0.53252800  1.0
  O  O15  1  0.85620200  0.63337000  0.46747200  1.0
  O  O16  1  0.32467600  0.73430800  0.50952200  1.0
  O  O17  1  0.67532400  0.26569200  0.49047800  1.0
  O  O18  1  0.25607300  0.76202200  0.19140300  1.0
  O  O19  1  0.74392700  0.23797800  0.80859700  1.0
  O  O20  1  0.47101100  0.03033800  0.17735400  1.0
  O  O21  1  0.52898900  0.96966200  0.82264600  1.0
  O  O22  1  0.36063100  0.40698400  0.18616100  1.0
  O  O23  1  0.63936900  0.59301600  0.81383900  1.0
  O  O24  1  0.04689100  0.18987700  0.32934500  1.0
  O  O25  1  0.95310900  0.81012300  0.67065500  1.0
  O  O26  1  0.31791800  0.08534900  0.50930100  1.0
  O  O27  1  0.68208200  0.91465100  0.49069900  1.0
Get direct link