BaSr7Mn2(Fe3O10)2
High-Entropy Materials HEAMP-ID: mp-1076181 · Space group: P1 (#1)
Basic Information
Formula
BaSr7Mn2(Fe3O10)2
MP-ID
mp-1076181
Elements
5
Sites
144
Density
4.8689
g/cm³
Volume
2,067.57
ų
Cell a
11.2738
Å
Cell b
11.4580
Å
Cell c
17.9114
Å
α Angle
108.81
°
β Angle
108.26
°
γ Angle
89.80
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 5.52 | 16.0061 | 4.3 | (0,0,1) |
| 11.06 | 8.0031 | 34.9 | (0,0,2) |
| 16.43 | 5.3967 | 2.1 | (0,2,-2) |
| 16.44 | 5.3910 | 3.6 | (0,2,0) |
| 22.08 | 4.0252 | 7.1 | (2,2,-2) |
| 22.16 | 4.0109 | 6.7 | (2,-2,0) |
| 22.22 | 4.0015 | 3.3 | (0,0,4) |
| 22.76 | 3.9076 | 5.3 | (0,2,-4) |
| 22.79 | 3.9012 | 7.6 | (0,2,2) |
| 24.75 | 3.5972 | 1.6 | (2,2,0) |
| 24.77 | 3.5948 | 3.7 | (2,2,-4) |
| 24.80 | 3.5903 | 1.6 | (2,-2,2) |
| 24.86 | 3.5812 | 3.6 | (2,-2,-2) |
| 31.23 | 2.8645 | 91.1 | (0,4,-2) |
| 31.51 | 2.8390 | 69.2 | (2,2,2) |
| 31.53 | 2.8373 | 69.2 | (2,-2,4) |
| 31.54 | 2.8366 | 68.2 | (2,2,-6) |
| 31.63 | 2.8284 | 67.7 | (2,-2,-4) |
| 31.75 | 2.8184 | 100.0 | (4,0,-2) |
| 32.00 | 2.7965 | 3.8 | (0,2,-6) |
| 32.05 | 2.7926 | 2.7 | (0,2,4) |
| 33.59 | 2.6677 | 5.3 | (0,0,6) |
| 35.55 | 2.5254 | 1.8 | (2,4,-4) |
| 35.55 | 2.5252 | 1.4 | (2,4,-2) |
Energy Properties
Formation Energy/atom
-2.38331
eV/atom
Energy/atom
-7.43524
eV/atom
Energy above Hull
0.0311
eV/atom
Uncorrected Energy
-6.5849
eV/atom
Volume/atom
14.36
ų
c/a Ratio
1.5888
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
151.6630
μB
Mag. Ordering
FM
Mag. Sites
54
Magnetization/Volume
0.073350
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2037
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0077
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.188%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0746
smaller = more stable mixing
VEC
4.389
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7479
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076181
Reference Citation
The crystal structure and related material properties of BaSr7Mn2(Fe3O10)2 were obtained from the Materials Project database (MP-ID: mp-1076181, 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
3D Crystal Structure Rendering
Loading 3D structure…
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Raw CIF Data
# generated using pymatgen
data_BaSr7Mn2(Fe3O10)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.27378279
_cell_length_b 11.45795633
_cell_length_c 17.91144054
_cell_angle_alpha 108.81047510
_cell_angle_beta 108.26089677
_cell_angle_gamma 89.79652228
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSr7Mn2(Fe3O10)2
_chemical_formula_sum 'Ba4 Sr28 Mn8 Fe24 O80'
_cell_volume 2067.56588235
_cell_formula_units_Z 4
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 0.30904500 0.06202900 0.11600400 1.0
Ba Ba1 1 0.30767700 0.56107300 0.11352900 1.0
Ba Ba2 1 0.80811800 0.06305200 0.11495500 1.0
Ba Ba3 1 0.05577800 0.80261000 0.11351000 1.0
Sr Sr4 1 0.30730400 0.06031800 0.60892500 1.0
Sr Sr5 1 0.30673000 0.55884900 0.60762000 1.0
Sr Sr6 1 0.80568400 0.06120600 0.60823100 1.0
Sr Sr7 1 0.80573600 0.56122100 0.10867600 1.0
Sr Sr8 1 0.80712100 0.55915300 0.60753200 1.0
Sr Sr9 1 0.19766000 0.43784200 0.39182700 1.0
Sr Sr10 1 0.19929900 0.43967600 0.89064000 1.0
Sr Sr11 1 0.19754300 0.93759700 0.39373600 1.0
Sr Sr12 1 0.19880200 0.94018700 0.89048600 1.0
Sr Sr13 1 0.69677400 0.43705600 0.39116200 1.0
Sr Sr14 1 0.69797800 0.43814100 0.88951700 1.0
Sr Sr15 1 0.69914200 0.93892000 0.39198500 1.0
Sr Sr16 1 0.69763300 0.93929100 0.89160100 1.0
Sr Sr17 1 0.05518200 0.29749900 0.10792700 1.0
Sr Sr18 1 0.05730800 0.29851500 0.60813800 1.0
Sr Sr19 1 0.05652000 0.79854600 0.60792700 1.0
Sr Sr20 1 0.55461800 0.29693800 0.10780200 1.0
Sr Sr21 1 0.55836300 0.29848100 0.60902000 1.0
Sr Sr22 1 0.55870400 0.79595100 0.10813900 1.0
Sr Sr23 1 0.55670200 0.79629000 0.60745800 1.0
Sr Sr24 1 0.44731300 0.20311400 0.39345900 1.0
Sr Sr25 1 0.44888100 0.20087100 0.88981500 1.0
Sr Sr26 1 0.44823800 0.70588900 0.39503000 1.0
Sr Sr27 1 0.44834700 0.69973300 0.89041800 1.0
Sr Sr28 1 0.94853300 0.20630000 0.39348500 1.0
Sr Sr29 1 0.94610900 0.20197300 0.88953400 1.0
Sr Sr30 1 0.94754700 0.70456900 0.39273400 1.0
Sr Sr31 1 0.94809300 0.69948800 0.89023000 1.0
Mn Mn32 1 0.11178700 0.09361000 0.74884900 1.0
Mn Mn33 1 0.11112800 0.59469700 0.74870200 1.0
Mn Mn34 1 0.61067600 0.59494600 0.74868300 1.0
Mn Mn35 1 0.36119600 0.40469600 0.74916300 1.0
Mn Mn36 1 0.36753700 0.90387400 0.25448400 1.0
Mn Mn37 1 0.36047100 0.90135200 0.74880000 1.0
Mn Mn38 1 0.86144900 0.40430600 0.74893300 1.0
Mn Mn39 1 0.85926200 0.90578700 0.74825300 1.0
Fe Fe40 1 0.99836200 0.99690000 0.99119900 1.0
Fe Fe41 1 0.00381200 0.00037600 0.50121000 1.0
Fe Fe42 1 0.99959200 0.49700200 0.99506000 1.0
Fe Fe43 1 0.00396000 0.50091700 0.50105100 1.0
Fe Fe44 1 0.49916200 0.99702900 0.99356900 1.0
Fe Fe45 1 0.50365600 0.00094000 0.49958800 1.0
Fe Fe46 1 0.50180500 0.49773100 0.99573000 1.0
Fe Fe47 1 0.50390800 0.49940700 0.50080600 1.0
Fe Fe48 1 0.25031600 0.24714700 0.99454400 1.0
Fe Fe49 1 0.25393000 0.25108800 0.50089800 1.0
Fe Fe50 1 0.25099600 0.74844200 0.99490500 1.0
Fe Fe51 1 0.25408700 0.75081800 0.50191900 1.0
Fe Fe52 1 0.75296200 0.25102000 0.99846100 1.0
Fe Fe53 1 0.75432100 0.25084200 0.50033800 1.0
Fe Fe54 1 0.74893300 0.74552700 0.99389200 1.0
Fe Fe55 1 0.75401400 0.75078300 0.50024300 1.0
Fe Fe56 1 0.11426900 0.09296700 0.25569700 1.0
Fe Fe57 1 0.10577600 0.58864000 0.25111200 1.0
Fe Fe58 1 0.61575900 0.09287000 0.25336100 1.0
Fe Fe59 1 0.61063700 0.08754600 0.74940300 1.0
Fe Fe60 1 0.61342800 0.59181700 0.25294100 1.0
Fe Fe61 1 0.36014800 0.41073900 0.25288500 1.0
Fe Fe62 1 0.85830700 0.41196700 0.25040200 1.0
Fe Fe63 1 0.85967200 0.90511900 0.25300500 1.0
O O64 1 0.12395400 0.12248300 0.49281200 1.0
O O65 1 0.12171100 0.12318000 0.99150100 1.0
O O66 1 0.12393100 0.62212800 0.49243700 1.0
O O67 1 0.12209600 0.62083100 0.98959400 1.0
O O68 1 0.62480000 0.12322000 0.49272900 1.0
O O69 1 0.62175500 0.12359200 0.99011800 1.0
O O70 1 0.62373200 0.62217400 0.49239300 1.0
O O71 1 0.62336400 0.62151400 0.99244300 1.0
O O72 1 0.12681000 0.37365000 0.00247200 1.0
O O73 1 0.13128500 0.37790200 0.50724900 1.0
O O74 1 0.12558300 0.87507300 0.99897200 1.0
O O75 1 0.13192000 0.87720500 0.50748300 1.0
O O76 1 0.63063900 0.37770200 0.00572900 1.0
O O77 1 0.63185400 0.37754600 0.50703500 1.0
O O78 1 0.62655400 0.87418900 0.00347700 1.0
O O79 1 0.63113000 0.87826700 0.50734600 1.0
O O80 1 0.37501400 0.12177400 0.49511200 1.0
O O81 1 0.37373800 0.12024800 0.99093900 1.0
O O82 1 0.37398600 0.62034300 0.49242400 1.0
O O83 1 0.37498200 0.62117500 0.99260900 1.0
O O84 1 0.87418500 0.12048900 0.49275800 1.0
O O85 1 0.87322900 0.12135300 0.99029700 1.0
O O86 1 0.87364900 0.62016600 0.49251000 1.0
O O87 1 0.87039800 0.61739000 0.99025300 1.0
O O88 1 0.38115700 0.37598400 0.00295400 1.0
O O89 1 0.38199800 0.38075400 0.50825600 1.0
O O90 1 0.38012800 0.87584100 0.00187000 1.0
O O91 1 0.38280800 0.88143900 0.50950900 1.0
O O92 1 0.87997900 0.37881700 0.00532800 1.0
O O93 1 0.88202900 0.38067000 0.50753100 1.0
O O94 1 0.87589200 0.87625400 0.99996200 1.0
O O95 1 0.88153200 0.88035400 0.50801300 1.0
O O96 1 0.07718000 0.09618600 0.14541700 1.0
O O97 1 0.07503600 0.08484400 0.63492600 1.0
O O98 1 0.07255000 0.58461500 0.13983900 1.0
O O99 1 0.07453900 0.58487700 0.63508800 1.0
O O100 1 0.57718800 0.09820600 0.14347500 1.0
O O101 1 0.58455600 0.09560800 0.64111400 1.0
O O102 1 0.58250300 0.59577800 0.14347900 1.0
O O103 1 0.57472900 0.58491200 0.63506700 1.0
O O104 1 0.44022000 0.40127600 0.36028600 1.0
O O105 1 0.43945700 0.41593900 0.86352900 1.0
O O106 1 0.44116200 0.91233500 0.36693700 1.0
O O107 1 0.43858200 0.91485500 0.86321500 1.0
O O108 1 0.94116400 0.40475900 0.35851900 1.0
O O109 1 0.93824700 0.41480100 0.86289700 1.0
O O110 1 0.93968600 0.90208500 0.36192200 1.0
O O111 1 0.93662200 0.91649500 0.86190700 1.0
O O112 1 0.33249000 0.30845700 0.14076600 1.0
O O113 1 0.32404000 0.30113900 0.63570200 1.0
O O114 1 0.32729200 0.81342500 0.13824200 1.0
O O115 1 0.32353800 0.79895600 0.63465600 1.0
O O116 1 0.83072200 0.30614400 0.13866800 1.0
O O117 1 0.82567200 0.30139500 0.63519700 1.0
O O118 1 0.82382100 0.79662800 0.14112100 1.0
O O119 1 0.82306700 0.80104600 0.63501000 1.0
O O120 1 0.19480100 0.20939400 0.36295800 1.0
O O121 1 0.18960700 0.19841900 0.86316300 1.0
O O122 1 0.19192100 0.70411500 0.35880500 1.0
O O123 1 0.19001300 0.69736500 0.86248400 1.0
O O124 1 0.69837100 0.20725300 0.36151800 1.0
O O125 1 0.69166900 0.20409100 0.85834300 1.0
O O126 1 0.69538700 0.70693800 0.36121800 1.0
O O127 1 0.68648700 0.69714700 0.86304100 1.0
O O128 1 0.45671000 0.05425800 0.26160500 1.0
O O129 1 0.44217200 0.05784200 0.74904000 1.0
O O130 1 0.44786300 0.56181300 0.26065700 1.0
O O131 1 0.44209200 0.56090400 0.74864600 1.0
O O132 1 0.94901700 0.05425200 0.25984700 1.0
O O133 1 0.94039200 0.05877800 0.74877900 1.0
O O134 1 0.93508300 0.56400100 0.25228200 1.0
O O135 1 0.94295200 0.56123000 0.74900300 1.0
O O136 1 0.18757300 0.43909300 0.25094500 1.0
O O137 1 0.19259300 0.43776300 0.74935600 1.0
O O138 1 0.19867200 0.94744900 0.25931700 1.0
O O139 1 0.19038100 0.93495300 0.74896800 1.0
O O140 1 0.68726500 0.43807500 0.25042700 1.0
O O141 1 0.69370000 0.44037800 0.74926400 1.0
O O142 1 0.68988000 0.93970200 0.25067000 1.0
O O143 1 0.68371200 0.93304300 0.74942800 1.0
