Sr8Fe7CoO20
High-Entropy Materials HEAMP-ID: mp-1076165 · Space group: P1 (#1)
Basic Information
Formula
Sr8Fe7CoO20
MP-ID
mp-1076165
Elements
4
Sites
144
Density
4.8352
g/cm³
Volume
2,020.46
ų
Cell a
11.1005
Å
Cell b
11.4760
Å
Cell c
17.7529
Å
α Angle
108.81
°
β Angle
108.15
°
γ Angle
90.23
°
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 |
|---|---|---|---|
| 11.16 | 7.9303 | 32.7 | (0,0,2) |
| 16.43 | 5.3966 | 2.2 | (0,2,-2) |
| 16.43 | 5.3949 | 2.4 | (0,2,0) |
| 22.24 | 3.9972 | 4.7 | (2,-2,0) |
| 22.33 | 3.9815 | 4.7 | (2,2,-2) |
| 22.42 | 3.9652 | 1.3 | (0,0,4) |
| 22.87 | 3.8890 | 9.2 | (0,2,-4) |
| 22.88 | 3.8872 | 8.6 | (0,2,2) |
| 24.94 | 3.5697 | 2.4 | (2,-2,2) |
| 24.95 | 3.5691 | 2.5 | (2,-2,-2) |
| 25.02 | 3.5589 | 2.4 | (2,2,-4) |
| 25.03 | 3.5575 | 2.5 | (2,2,0) |
| 31.17 | 2.8690 | 90.2 | (0,4,-2) |
| 31.78 | 2.8153 | 69.0 | (2,-2,4) |
| 31.79 | 2.8148 | 69.4 | (2,-2,-4) |
| 31.84 | 2.8102 | 68.6 | (2,2,-6) |
| 31.86 | 2.8089 | 69.0 | (2,2,2) |
| 32.24 | 2.7767 | 4.4 | (0,2,-6) |
| 32.25 | 2.7756 | 4.7 | (0,2,4) |
| 32.26 | 2.7751 | 100.0 | (4,0,-2) |
| 33.91 | 2.6434 | 4.4 | (0,0,6) |
| 35.62 | 2.5204 | 2.1 | (2,-4,2) |
| 35.63 | 2.5202 | 2.0 | (2,-4,0) |
| 35.74 | 2.5126 | 2.1 | (2,4,-4) |
Energy Properties
Formation Energy/atom
-1.60625
eV/atom
Energy/atom
-6.57631
eV/atom
Energy above Hull
0.7367
eV/atom
Uncorrected Energy
-5.7105
eV/atom
Volume/atom
14.03
ų
c/a Ratio
1.5993
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.5216
μB
Mag. Ordering
FiM
Mag. Sites
30
Magnetization/Volume
0.000750
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
1.0788
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9688
J/mol·K
Ω Parameter
276.0691
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.717%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0592
smaller = more stable mixing
VEC
4.472
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.022
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7782
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076165
Reference Citation
The crystal structure and related material properties of Sr8Fe7CoO20 were obtained from the Materials Project database (MP-ID: mp-1076165, 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_Sr8Fe7CoO20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.10051847
_cell_length_b 11.47600644
_cell_length_c 17.75288087
_cell_angle_alpha 108.80937988
_cell_angle_beta 108.15318980
_cell_angle_gamma 90.22505001
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr8Fe7CoO20
_chemical_formula_sum 'Sr32 Fe28 Co4 O80'
_cell_volume 2020.46347617
_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
Sr Sr0 1 0.30702900 0.06153100 0.10829500 1.0
Sr Sr1 1 0.30637100 0.06388300 0.60960900 1.0
Sr Sr2 1 0.30308600 0.56384300 0.10857300 1.0
Sr Sr3 1 0.30640200 0.56376900 0.60979000 1.0
Sr Sr4 1 0.80442300 0.06222500 0.10859000 1.0
Sr Sr5 1 0.80674200 0.06388500 0.60955500 1.0
Sr Sr6 1 0.80919300 0.56528100 0.10767800 1.0
Sr Sr7 1 0.80679700 0.56381800 0.60964700 1.0
Sr Sr8 1 0.19728100 0.43632800 0.39065400 1.0
Sr Sr9 1 0.19419900 0.43706100 0.89150500 1.0
Sr Sr10 1 0.19735200 0.93633200 0.39056600 1.0
Sr Sr11 1 0.19811500 0.93565600 0.89127500 1.0
Sr Sr12 1 0.69679600 0.43604200 0.39016800 1.0
Sr Sr13 1 0.70142000 0.43899000 0.89206200 1.0
Sr Sr14 1 0.69658100 0.93610600 0.39029100 1.0
Sr Sr15 1 0.69590100 0.93685600 0.89164900 1.0
Sr Sr16 1 0.05573700 0.29492600 0.10897600 1.0
Sr Sr17 1 0.05711000 0.29578700 0.60957300 1.0
Sr Sr18 1 0.05327000 0.79363500 0.10835900 1.0
Sr Sr19 1 0.05712600 0.79608600 0.60968900 1.0
Sr Sr20 1 0.55716200 0.29243300 0.10854400 1.0
Sr Sr21 1 0.55579000 0.29554200 0.60941800 1.0
Sr Sr22 1 0.55976500 0.79726400 0.10771400 1.0
Sr Sr23 1 0.55587900 0.79608200 0.60980000 1.0
Sr Sr24 1 0.44727700 0.20413300 0.39034600 1.0
Sr Sr25 1 0.44842100 0.20268800 0.89160600 1.0
Sr Sr26 1 0.44723700 0.70386100 0.39033500 1.0
Sr Sr27 1 0.45189300 0.70762600 0.89215800 1.0
Sr Sr28 1 0.94645600 0.20456100 0.39055700 1.0
Sr Sr29 1 0.94708600 0.20588200 0.89139700 1.0
Sr Sr30 1 0.94666400 0.70382500 0.39044500 1.0
Sr Sr31 1 0.94565300 0.70397500 0.89108000 1.0
Fe Fe32 1 0.00386200 0.99953600 0.49920500 1.0
Fe Fe33 1 0.00429300 0.50009700 0.50008500 1.0
Fe Fe34 1 0.50417100 0.99991500 0.49995600 1.0
Fe Fe35 1 0.50544100 0.50107400 0.99991400 1.0
Fe Fe36 1 0.50456600 0.50044800 0.50077600 1.0
Fe Fe37 1 0.25503200 0.25100100 0.00031900 1.0
Fe Fe38 1 0.25384600 0.24964000 0.49932000 1.0
Fe Fe39 1 0.25476600 0.75071800 0.00039900 1.0
Fe Fe40 1 0.25402200 0.74989000 0.49963900 1.0
Fe Fe41 1 0.75451600 0.24940900 0.99986000 1.0
Fe Fe42 1 0.75443000 0.25018100 0.50047300 1.0
Fe Fe43 1 0.75444000 0.75036800 0.50061000 1.0
Fe Fe44 1 0.10879600 0.09117300 0.25106100 1.0
Fe Fe45 1 0.10807900 0.09076500 0.75031700 1.0
Fe Fe46 1 0.10879800 0.59113000 0.25151100 1.0
Fe Fe47 1 0.10850100 0.59100800 0.75032600 1.0
Fe Fe48 1 0.60817900 0.09082800 0.25089500 1.0
Fe Fe49 1 0.60825100 0.09101500 0.75033900 1.0
Fe Fe50 1 0.60789800 0.59028700 0.24925700 1.0
Fe Fe51 1 0.60748900 0.58999300 0.74891400 1.0
Fe Fe52 1 0.35785800 0.40860700 0.24957500 1.0
Fe Fe53 1 0.35819300 0.40952800 0.75062600 1.0
Fe Fe54 1 0.35750900 0.90876700 0.24949500 1.0
Fe Fe55 1 0.35767600 0.90906600 0.74926600 1.0
Fe Fe56 1 0.85756900 0.40898100 0.24959100 1.0
Fe Fe57 1 0.85708000 0.40855700 0.74824100 1.0
Fe Fe58 1 0.85882800 0.91056000 0.25167900 1.0
Fe Fe59 1 0.85733600 0.90891100 0.74934300 1.0
Co Co60 1 0.00369300 0.99932000 0.99972100 1.0
Co Co61 1 0.00498800 0.50014700 0.00037100 1.0
Co Co62 1 0.50442300 0.99932100 0.99960500 1.0
Co Co63 1 0.75556200 0.75155900 0.00042600 1.0
O O64 1 0.12441700 0.12224300 0.49196200 1.0
O O65 1 0.12073500 0.11743500 0.99221100 1.0
O O66 1 0.12418500 0.62185700 0.49181800 1.0
O O67 1 0.12048300 0.61808100 0.99219200 1.0
O O68 1 0.62423200 0.12186300 0.49155100 1.0
O O69 1 0.62493800 0.12299000 0.99239000 1.0
O O70 1 0.62442500 0.62198000 0.49145400 1.0
O O71 1 0.62388500 0.62030100 0.99168800 1.0
O O72 1 0.13042600 0.37816100 0.00803300 1.0
O O73 1 0.13243300 0.37816800 0.50830300 1.0
O O74 1 0.13431400 0.87564500 0.00821200 1.0
O O75 1 0.13277500 0.87807100 0.50871100 1.0
O O76 1 0.63391000 0.37688200 0.00829000 1.0
O O77 1 0.63261000 0.37788200 0.50797500 1.0
O O78 1 0.63176000 0.88044000 0.00719000 1.0
O O79 1 0.63261400 0.87782800 0.50809200 1.0
O O80 1 0.37473500 0.11948900 0.49182000 1.0
O O81 1 0.37320900 0.12009000 0.99226300 1.0
O O82 1 0.37458900 0.61942600 0.49161300 1.0
O O83 1 0.37315700 0.62026200 0.99177300 1.0
O O84 1 0.87425600 0.11962500 0.49166500 1.0
O O85 1 0.87297100 0.12195000 0.99155900 1.0
O O86 1 0.87429300 0.61958900 0.49170300 1.0
O O87 1 0.87821100 0.61405500 0.99075400 1.0
O O88 1 0.38219900 0.37959600 0.00825300 1.0
O O89 1 0.38283900 0.38040500 0.50823300 1.0
O O90 1 0.38202000 0.87945800 0.00773500 1.0
O O91 1 0.38311400 0.88052100 0.50843600 1.0
O O92 1 0.88731600 0.38407600 0.00815400 1.0
O O93 1 0.88263100 0.38058600 0.50813500 1.0
O O94 1 0.88886500 0.88753100 0.00801800 1.0
O O95 1 0.88249400 0.88020100 0.50834500 1.0
O O96 1 0.08600300 0.10029400 0.14430800 1.0
O O97 1 0.08133000 0.09514800 0.64016600 1.0
O O98 1 0.08641800 0.60120000 0.14590100 1.0
O O99 1 0.08095700 0.59474700 0.63964700 1.0
O O100 1 0.58368500 0.09785800 0.14413300 1.0
O O101 1 0.58142500 0.09461200 0.63984300 1.0
O O102 1 0.58148000 0.59578800 0.14033400 1.0
O O103 1 0.58001000 0.59351900 0.63800100 1.0
O O104 1 0.44134600 0.40491800 0.35986300 1.0
O O105 1 0.44086600 0.40326900 0.85939100 1.0
O O106 1 0.44114600 0.90503500 0.36008400 1.0
O O107 1 0.44008800 0.90306200 0.85612000 1.0
O O108 1 0.94124600 0.40537500 0.36012900 1.0
O O109 1 0.94040300 0.39789300 0.85361000 1.0
O O110 1 0.94229400 0.90662100 0.36226500 1.0
O O111 1 0.94200400 0.90077300 0.85635600 1.0
O O112 1 0.33018900 0.29493500 0.13950500 1.0
O O113 1 0.33111100 0.29525200 0.63995700 1.0
O O114 1 0.33182400 0.79563700 0.14004500 1.0
O O115 1 0.33095000 0.79428600 0.63902800 1.0
O O116 1 0.83191600 0.29481400 0.14050600 1.0
O O117 1 0.83004300 0.29446900 0.63763300 1.0
O O118 1 0.83589400 0.79660500 0.14465500 1.0
O O119 1 0.82984200 0.79479500 0.63839100 1.0
O O120 1 0.19215800 0.20536000 0.36210800 1.0
O O121 1 0.19091400 0.20377600 0.86057200 1.0
O O122 1 0.19192100 0.70553300 0.36212600 1.0
O O123 1 0.19145200 0.70400500 0.85966700 1.0
O O124 1 0.69174600 0.20579600 0.36107000 1.0
O O125 1 0.69136200 0.20500000 0.85976400 1.0
O O126 1 0.69122900 0.70470400 0.35988300 1.0
O O127 1 0.69155600 0.70525000 0.85546800 1.0
O O128 1 0.43465000 0.06050900 0.25048100 1.0
O O129 1 0.43509100 0.06098600 0.74941700 1.0
O O130 1 0.43538400 0.56001800 0.25000900 1.0
O O131 1 0.43473900 0.56059200 0.75001600 1.0
O O132 1 0.93549700 0.06153600 0.25076900 1.0
O O133 1 0.93501500 0.06016100 0.74938200 1.0
O O134 1 0.93493300 0.56004600 0.25020200 1.0
O O135 1 0.93559800 0.56082000 0.74965200 1.0
O O136 1 0.18620800 0.43962600 0.25059700 1.0
O O137 1 0.18498900 0.43960700 0.74979400 1.0
O O138 1 0.18544000 0.93965800 0.25039300 1.0
O O139 1 0.18465500 0.93980100 0.74965800 1.0
O O140 1 0.68501100 0.43939000 0.24986400 1.0
O O141 1 0.68435500 0.43904200 0.74895200 1.0
O O142 1 0.68549900 0.93958700 0.25074900 1.0
O O143 1 0.68478100 0.93989400 0.74998500 1.0
