BaSr7MnFe7O20
High-Entropy Materials HEAMP-ID: mp-1076473 · Space group: P1 (#1)
Basic Information
Formula
BaSr7MnFe7O20
MP-ID
mp-1076473
Elements
5
Sites
144
Density
4.8748
g/cm³
Volume
2,066.30
ų
Cell a
11.2673
Å
Cell b
11.5248
Å
Cell c
17.8269
Å
α Angle
108.90
°
β Angle
108.26
°
γ Angle
90.04
°
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 |
|---|---|---|---|
| 5.55 | 15.9126 | 4.5 | (0,0,1) |
| 11.12 | 7.9563 | 32.6 | (0,0,2) |
| 16.36 | 5.4198 | 1.7 | (0,2,-2) |
| 16.37 | 5.4163 | 3.2 | (0,2,0) |
| 22.06 | 4.0296 | 6.9 | (2,-2,0) |
| 22.07 | 4.0271 | 7.0 | (2,2,-2) |
| 22.35 | 3.9782 | 3.1 | (0,0,4) |
| 22.77 | 3.9046 | 6.2 | (0,2,-4) |
| 22.80 | 3.9006 | 8.6 | (0,2,2) |
| 24.74 | 3.5988 | 1.7 | (2,-2,2) |
| 24.77 | 3.5950 | 1.7 | (2,2,0) |
| 24.79 | 3.5912 | 3.7 | (2,2,-4) |
| 24.79 | 3.5909 | 3.9 | (2,-2,-2) |
| 31.04 | 2.8812 | 90.1 | (0,4,-2) |
| 31.56 | 2.8349 | 69.6 | (2,-2,4) |
| 31.59 | 2.8320 | 69.0 | (2,2,2) |
| 31.64 | 2.8283 | 68.3 | (2,2,-6) |
| 31.65 | 2.8271 | 68.0 | (2,-2,-4) |
| 31.77 | 2.8168 | 100.0 | (4,0,-2) |
| 32.12 | 2.7871 | 4.4 | (0,2,-6) |
| 32.14 | 2.7847 | 3.2 | (0,2,4) |
| 33.80 | 2.6521 | 5.0 | (0,0,6) |
| 35.42 | 2.5340 | 1.8 | (2,-4,2) |
| 35.45 | 2.5322 | 1.3 | (2,-4,0) |
Energy Properties
Formation Energy/atom
-2.36792
eV/atom
Energy/atom
-7.40062
eV/atom
Energy above Hull
0.0211
eV/atom
Uncorrected Energy
-6.5340
eV/atom
Volume/atom
14.35
ų
c/a Ratio
1.5822
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
155.6593
μB
Mag. Ordering
FM
Mag. Sites
68
Magnetization/Volume
0.075330
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
1.1625
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6649
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.193%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0687
smaller = more stable mixing
VEC
4.417
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7223
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076473
Reference Citation
The crystal structure and related material properties of BaSr7MnFe7O20 were obtained from the Materials Project database (MP-ID: mp-1076473, 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_BaSr7MnFe7O20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.26729992
_cell_length_b 11.52476810
_cell_length_c 17.82688268
_cell_angle_alpha 108.90262025
_cell_angle_beta 108.25804296
_cell_angle_gamma 90.03517544
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSr7MnFe7O20
_chemical_formula_sum 'Ba4 Sr28 Mn4 Fe28 O80'
_cell_volume 2066.30191168
_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 0.30846900 0.06264600 0.11420100 1.0
Ba Ba1 1 0.30821800 0.56178000 0.11353300 1.0
Ba Ba2 1 0.80740100 0.06306400 0.11416000 1.0
Ba Ba3 1 0.05643400 0.80099800 0.11323000 1.0
Sr Sr4 1 0.30592800 0.06169500 0.60898700 1.0
Sr Sr5 1 0.30650800 0.55976700 0.60821900 1.0
Sr Sr6 1 0.80630600 0.06372500 0.60870300 1.0
Sr Sr7 1 0.80577700 0.56168800 0.10883100 1.0
Sr Sr8 1 0.80692400 0.56198900 0.60822300 1.0
Sr Sr9 1 0.19789600 0.43695300 0.39179000 1.0
Sr Sr10 1 0.19730900 0.43683100 0.88948100 1.0
Sr Sr11 1 0.19781700 0.93746700 0.39293700 1.0
Sr Sr12 1 0.19780000 0.93760000 0.89088100 1.0
Sr Sr13 1 0.69716400 0.43657600 0.39119100 1.0
Sr Sr14 1 0.69735400 0.43740000 0.88942900 1.0
Sr Sr15 1 0.69742500 0.93698200 0.39139600 1.0
Sr Sr16 1 0.69799600 0.93853600 0.89153200 1.0
Sr Sr17 1 0.05497600 0.29754400 0.10811400 1.0
Sr Sr18 1 0.05662600 0.29727000 0.60962000 1.0
Sr Sr19 1 0.05541400 0.79575100 0.60785900 1.0
Sr Sr20 1 0.55590000 0.29690300 0.10821500 1.0
Sr Sr21 1 0.55777500 0.29814200 0.60971700 1.0
Sr Sr22 1 0.55733500 0.79443800 0.10843600 1.0
Sr Sr23 1 0.55640600 0.79619100 0.60763300 1.0
Sr Sr24 1 0.44803300 0.20638500 0.39395800 1.0
Sr Sr25 1 0.44741700 0.20264700 0.89009400 1.0
Sr Sr26 1 0.44856300 0.70547300 0.39344200 1.0
Sr Sr27 1 0.44848200 0.70075000 0.89059100 1.0
Sr Sr28 1 0.94881300 0.20644800 0.39341100 1.0
Sr Sr29 1 0.94680100 0.20457000 0.88988200 1.0
Sr Sr30 1 0.94778900 0.70465900 0.39189800 1.0
Sr Sr31 1 0.94779100 0.70262200 0.89028500 1.0
Mn Mn32 1 0.11031000 0.59474000 0.74924900 1.0
Mn Mn33 1 0.60900100 0.59779300 0.74918500 1.0
Mn Mn34 1 0.36085400 0.40464000 0.74949900 1.0
Mn Mn35 1 0.35987500 0.90275700 0.74937200 1.0
Fe Fe36 1 0.00078400 0.99799000 0.99389700 1.0
Fe Fe37 1 0.00385000 0.00010000 0.49986300 1.0
Fe Fe38 1 0.00083800 0.49685000 0.99559300 1.0
Fe Fe39 1 0.00448900 0.50035100 0.50110100 1.0
Fe Fe40 1 0.50110300 0.99814000 0.99575700 1.0
Fe Fe41 1 0.50428700 0.00033700 0.49991800 1.0
Fe Fe42 1 0.50274300 0.49770700 0.99605000 1.0
Fe Fe43 1 0.50450200 0.50031100 0.50132700 1.0
Fe Fe44 1 0.25260300 0.24877300 0.99681500 1.0
Fe Fe45 1 0.25472900 0.25101900 0.50165100 1.0
Fe Fe46 1 0.25200100 0.74686900 0.99444600 1.0
Fe Fe47 1 0.25387000 0.75028700 0.50050500 1.0
Fe Fe48 1 0.75334900 0.25098000 0.99862800 1.0
Fe Fe49 1 0.75474100 0.25026000 0.50045600 1.0
Fe Fe50 1 0.74986000 0.74579000 0.99463700 1.0
Fe Fe51 1 0.75444200 0.74982000 0.49958700 1.0
Fe Fe52 1 0.11089800 0.09508800 0.25386700 1.0
Fe Fe53 1 0.10768900 0.08727700 0.74947800 1.0
Fe Fe54 1 0.10574600 0.58919500 0.25103000 1.0
Fe Fe55 1 0.61051700 0.09219100 0.25233200 1.0
Fe Fe56 1 0.60855300 0.09023700 0.74968400 1.0
Fe Fe57 1 0.61151300 0.59141700 0.25214500 1.0
Fe Fe58 1 0.35868300 0.40949300 0.25224700 1.0
Fe Fe59 1 0.36315300 0.91052700 0.25401300 1.0
Fe Fe60 1 0.85747100 0.41110500 0.25055500 1.0
Fe Fe61 1 0.85827500 0.41086600 0.74943500 1.0
Fe Fe62 1 0.85725300 0.90682300 0.25225800 1.0
Fe Fe63 1 0.85706500 0.90942000 0.74919000 1.0
O O64 1 0.12450300 0.12147500 0.49167200 1.0
O O65 1 0.12184700 0.12210200 0.98898900 1.0
O O66 1 0.12470300 0.62228300 0.49208800 1.0
O O67 1 0.12219400 0.61980400 0.98844700 1.0
O O68 1 0.62516800 0.12206700 0.49207800 1.0
O O69 1 0.62251000 0.12336600 0.98981700 1.0
O O70 1 0.62495800 0.62263100 0.49255500 1.0
O O71 1 0.62477900 0.62154700 0.99229600 1.0
O O72 1 0.12849800 0.37312100 0.00384900 1.0
O O73 1 0.13236400 0.37769900 0.50752500 1.0
O O74 1 0.12893300 0.87566700 0.00168200 1.0
O O75 1 0.13277500 0.87832300 0.50837400 1.0
O O76 1 0.63265900 0.37806500 0.00719800 1.0
O O77 1 0.63348700 0.37726600 0.50816200 1.0
O O78 1 0.62783300 0.87440900 0.00416300 1.0
O O79 1 0.63384100 0.87812400 0.50925400 1.0
O O80 1 0.37505200 0.11957500 0.49253500 1.0
O O81 1 0.37379500 0.11993300 0.98977300 1.0
O O82 1 0.37460300 0.62060100 0.49237300 1.0
O O83 1 0.37567900 0.62001800 0.99108400 1.0
O O84 1 0.87482900 0.11925000 0.49193000 1.0
O O85 1 0.87412900 0.12001200 0.98914800 1.0
O O86 1 0.87445600 0.61969200 0.49151100 1.0
O O87 1 0.87123000 0.61572000 0.98947100 1.0
O O88 1 0.38336000 0.37625200 0.00477300 1.0
O O89 1 0.38289300 0.38072900 0.50810000 1.0
O O90 1 0.38223100 0.87628000 0.00379100 1.0
O O91 1 0.38338000 0.88117400 0.50881400 1.0
O O92 1 0.88159600 0.37918000 0.00638100 1.0
O O93 1 0.88269200 0.38012400 0.50818400 1.0
O O94 1 0.87772800 0.87710600 0.00100400 1.0
O O95 1 0.88351600 0.88095100 0.50932100 1.0
O O96 1 0.07632800 0.09635700 0.14244600 1.0
O O97 1 0.08219200 0.09570400 0.64108800 1.0
O O98 1 0.07385600 0.58687800 0.13975300 1.0
O O99 1 0.07554200 0.58663400 0.63544800 1.0
O O100 1 0.57626800 0.09774700 0.14203300 1.0
O O101 1 0.58155000 0.09650700 0.64069600 1.0
O O102 1 0.58313900 0.59624300 0.14267200 1.0
O O103 1 0.57473600 0.58746800 0.63526300 1.0
O O104 1 0.44047900 0.40184700 0.36038100 1.0
O O105 1 0.44125100 0.41298100 0.86413300 1.0
O O106 1 0.44369500 0.90141800 0.36205300 1.0
O O107 1 0.43847800 0.91309400 0.86258600 1.0
O O108 1 0.94075400 0.40354800 0.35886800 1.0
O O109 1 0.94111700 0.40429200 0.85899400 1.0
O O110 1 0.94021700 0.90161600 0.36108800 1.0
O O111 1 0.93984100 0.90415500 0.85842100 1.0
O O112 1 0.33130000 0.30509100 0.13974700 1.0
O O113 1 0.32570800 0.29789800 0.63501000 1.0
O O114 1 0.33353600 0.80566600 0.14155400 1.0
O O115 1 0.32512600 0.79933300 0.63633500 1.0
O O116 1 0.83096700 0.30329800 0.13902400 1.0
O O117 1 0.83227300 0.29473300 0.64002600 1.0
O O118 1 0.82502800 0.79574500 0.14111700 1.0
O O119 1 0.83093700 0.79397800 0.64050900 1.0
O O120 1 0.19302700 0.21035600 0.36152900 1.0
O O121 1 0.19078600 0.20394800 0.85803400 1.0
O O122 1 0.19086700 0.70563600 0.35932400 1.0
O O123 1 0.19035400 0.70018800 0.86295900 1.0
O O124 1 0.69470800 0.20730200 0.36070300 1.0
O O125 1 0.69011900 0.20568100 0.85877800 1.0
O O126 1 0.69426700 0.70726900 0.36112900 1.0
O O127 1 0.68771600 0.70055400 0.86341300 1.0
O O128 1 0.44753800 0.06013900 0.26013900 1.0
O O129 1 0.44069900 0.05463500 0.74937900 1.0
O O130 1 0.44679900 0.55884200 0.25928900 1.0
O O131 1 0.43952300 0.56241600 0.74919200 1.0
O O132 1 0.94655800 0.05524400 0.25863400 1.0
O O133 1 0.93617500 0.05886800 0.74933800 1.0
O O134 1 0.93551900 0.56167500 0.25178700 1.0
O O135 1 0.93407400 0.56148500 0.74928800 1.0
O O136 1 0.18719100 0.44066600 0.25072000 1.0
O O137 1 0.19028200 0.44267700 0.74960800 1.0
O O138 1 0.19810500 0.95168200 0.25831000 1.0
O O139 1 0.18338200 0.93617400 0.74939600 1.0
O O140 1 0.68704800 0.43995000 0.25035500 1.0
O O141 1 0.69118800 0.44215100 0.74960400 1.0
O O142 1 0.68745200 0.94156900 0.25023100 1.0
O O143 1 0.68618900 0.93947200 0.74962300 1.0
