Sr5Ca3Fe2(Co3O10)2
High-Entropy Materials HEAMP-ID: mp-1099798 · Space group: P1 (#1)
Basic Information
Formula
Sr5Ca3Fe2(Co3O10)2
MP-ID
mp-1099798
Elements
5
Sites
144
Density
4.6479
g/cm³
Volume
1,920.12
ų
Cell a
10.8101
Å
Cell b
11.2268
Å
Cell c
17.6291
Å
α Angle
108.36
°
β Angle
107.93
°
γ Angle
90.18
°
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 |
|---|---|---|---|
| 5.59 | 15.8214 | 20.1 | (0,0,1) |
| 11.19 | 7.9107 | 29.5 | (0,0,2) |
| 11.35 | 7.7991 | 1.4 | (1,-1,0) |
| 15.99 | 5.5434 | 1.0 | (1,-1,2) |
| 16.74 | 5.2950 | 2.3 | (0,2,0) |
| 16.77 | 5.2856 | 4.3 | (0,2,-2) |
| 16.81 | 5.2738 | 2.1 | (0,0,3) |
| 23.11 | 3.8490 | 7.8 | (0,2,2) |
| 23.17 | 3.8382 | 10.3 | (0,2,-4) |
| 23.48 | 3.7896 | 2.0 | (2,-2,-1) |
| 23.52 | 3.7829 | 2.1 | (2,-2,1) |
| 23.57 | 3.7753 | 2.1 | (2,2,-1) |
| 23.57 | 3.7751 | 2.1 | (2,2,-3) |
| 25.51 | 3.4924 | 4.6 | (2,-2,2) |
| 25.53 | 3.4891 | 4.3 | (2,2,0) |
| 28.20 | 3.1643 | 2.4 | (0,0,5) |
| 28.41 | 3.1412 | 2.0 | (2,-2,-3) |
| 28.52 | 3.1298 | 2.4 | (2,-2,3) |
| 28.52 | 3.1294 | 2.2 | (2,2,1) |
| 28.53 | 3.1290 | 2.1 | (2,2,-5) |
| 31.89 | 2.8067 | 91.6 | (0,4,-2) |
| 32.17 | 2.7822 | 70.7 | (2,-2,-4) |
| 32.29 | 2.7727 | 68.0 | (2,2,2) |
| 32.29 | 2.7724 | 70.2 | (2,2,-6) |
Energy Properties
Formation Energy/atom
-2.18744
eV/atom
Energy/atom
-6.99796
eV/atom
Energy above Hull
0.0382
eV/atom
Uncorrected Energy
-6.2180
eV/atom
Volume/atom
13.33
ų
c/a Ratio
1.6308
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
122.0002
μB
Mag. Ordering
FM
Mag. Sites
89
Magnetization/Volume
0.063540
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
1.2670
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.5339
J/mol·K
Ω Parameter
24.7496
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.479%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0485
smaller = more stable mixing
VEC
4.611
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.283
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7872
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1099798
Reference Citation
The crystal structure and related material properties of Sr5Ca3Fe2(Co3O10)2 were obtained from the Materials Project database (MP-ID: mp-1099798, 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
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Raw CIF Data
# generated using pymatgen
data_Sr5Ca3Fe2(Co3O10)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.81007899
_cell_length_b 11.22679923
_cell_length_c 17.62912951
_cell_angle_alpha 108.35626616
_cell_angle_beta 107.93132024
_cell_angle_gamma 90.17816232
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr5Ca3Fe2(Co3O10)2
_chemical_formula_sum 'Sr20 Ca12 Fe8 Co24 O80'
_cell_volume 1920.11551381
_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 0.30792563 0.05902318 0.60802604 1.0
Sr Sr1 1 0.30333770 0.56200033 0.60843323 1.0
Sr Sr2 1 0.80601583 0.06398021 0.60934412 1.0
Sr Sr3 1 0.81333189 0.56150531 0.61022479 1.0
Sr Sr4 1 0.19404290 0.43489461 0.38297388 1.0
Sr Sr5 1 0.19668116 0.43860435 0.89525418 1.0
Sr Sr6 1 0.69639616 0.43648698 0.38362475 1.0
Sr Sr7 1 0.69406662 0.93651195 0.38464055 1.0
Sr Sr8 1 0.70146055 0.94196131 0.89417634 1.0
Sr Sr9 1 0.05752667 0.29478817 0.60923875 1.0
Sr Sr10 1 0.06074000 0.79594904 0.60993535 1.0
Sr Sr11 1 0.55745814 0.29505035 0.60973901 1.0
Sr Sr12 1 0.55497424 0.80345450 0.61032106 1.0
Sr Sr13 1 0.44596550 0.20099536 0.38423782 1.0
Sr Sr14 1 0.45526349 0.20662070 0.89400719 1.0
Sr Sr15 1 0.44493082 0.69967460 0.38323154 1.0
Sr Sr16 1 0.44693317 0.70857440 0.89461480 1.0
Sr Sr17 1 0.94422777 0.19820735 0.38367040 1.0
Sr Sr18 1 0.94761741 0.20280469 0.89439585 1.0
Sr Sr19 1 0.94501828 0.69771941 0.38376406 1.0
Ca Ca20 1 0.30869044 0.06693356 0.10748367 1.0
Ca Ca21 1 0.29885026 0.56666259 0.10925772 1.0
Ca Ca22 1 0.80529946 0.06716841 0.10930148 1.0
Ca Ca23 1 0.80265279 0.56849867 0.10851718 1.0
Ca Ca24 1 0.19613134 0.93177437 0.38871480 1.0
Ca Ca25 1 0.19976582 0.93209442 0.89636811 1.0
Ca Ca26 1 0.69763385 0.43430640 0.89697589 1.0
Ca Ca27 1 0.05723252 0.28971831 0.11020832 1.0
Ca Ca28 1 0.05180831 0.78947913 0.10989194 1.0
Ca Ca29 1 0.55347317 0.29439015 0.10846909 1.0
Ca Ca30 1 0.55047363 0.79398201 0.11082529 1.0
Ca Ca31 1 0.94991355 0.71116289 0.89685227 1.0
Fe Fe32 1 0.11274178 0.09072512 0.75602161 1.0
Fe Fe33 1 0.10687773 0.59585369 0.75511448 1.0
Fe Fe34 1 0.61206196 0.59225434 0.75401240 1.0
Fe Fe35 1 0.36110093 0.41046779 0.75311321 1.0
Fe Fe36 1 0.34970380 0.90781300 0.24530611 1.0
Fe Fe37 1 0.35924671 0.91041459 0.75494308 1.0
Fe Fe38 1 0.85698961 0.41302387 0.75685918 1.0
Fe Fe39 1 0.86241824 0.90781459 0.75337667 1.0
Co Co40 1 0.01182890 0.00175898 0.00764619 1.0
Co Co41 1 0.00315929 0.99712349 0.49598125 1.0
Co Co42 1 0.00508381 0.50306807 0.00493608 1.0
Co Co43 1 0.00407373 0.49876969 0.49855654 1.0
Co Co44 1 0.50960848 0.00218457 0.00645147 1.0
Co Co45 1 0.49924981 0.99644172 0.49225715 1.0
Co Co46 1 0.50890845 0.50452416 0.00707987 1.0
Co Co47 1 0.50728038 0.50356360 0.50438340 1.0
Co Co48 1 0.25743698 0.25038154 0.00338328 1.0
Co Co49 1 0.25300428 0.24693841 0.49802614 1.0
Co Co50 1 0.25777061 0.75331200 0.00946227 1.0
Co Co51 1 0.25249546 0.74889901 0.49721620 1.0
Co Co52 1 0.76468277 0.25810449 0.01499075 1.0
Co Co53 1 0.75399314 0.24892928 0.49862398 1.0
Co Co54 1 0.75771477 0.75167259 0.00400362 1.0
Co Co55 1 0.75643916 0.75190333 0.50286227 1.0
Co Co56 1 0.10576632 0.08799167 0.24426174 1.0
Co Co57 1 0.10487474 0.59231074 0.24312282 1.0
Co Co58 1 0.60736471 0.09122402 0.24368610 1.0
Co Co59 1 0.61061933 0.09928556 0.75193762 1.0
Co Co60 1 0.60522057 0.59005653 0.24236764 1.0
Co Co61 1 0.35550753 0.40324789 0.24155430 1.0
Co Co62 1 0.85656732 0.40499116 0.24361304 1.0
Co Co63 1 0.85798293 0.90292895 0.24377304 1.0
O O64 1 0.12822003 0.11914137 0.48788529 1.0
O O65 1 0.12897110 0.11012113 0.99451971 1.0
O O66 1 0.12566357 0.61991638 0.49010685 1.0
O O67 1 0.11887381 0.62522632 0.99034428 1.0
O O68 1 0.62277783 0.12437483 0.49203329 1.0
O O69 1 0.63715259 0.13408990 0.99928291 1.0
O O70 1 0.63121043 0.63022823 0.49254704 1.0
O O71 1 0.62145147 0.61915635 0.99440380 1.0
O O72 1 0.12687566 0.38768585 0.01629473 1.0
O O73 1 0.13027191 0.37356382 0.50311673 1.0
O O74 1 0.14282568 0.87324770 0.01568215 1.0
O O75 1 0.12784511 0.87660081 0.50103382 1.0
O O76 1 0.64144709 0.38500734 0.02021065 1.0
O O77 1 0.62562804 0.38298417 0.50247273 1.0
O O78 1 0.63489576 0.88936365 0.01616179 1.0
O O79 1 0.63010605 0.87817100 0.50616659 1.0
O O80 1 0.36964873 0.11602183 0.48597794 1.0
O O81 1 0.38548555 0.11245749 0.99535658 1.0
O O82 1 0.38036994 0.61499262 0.49222119 1.0
O O83 1 0.36888175 0.62829417 0.99621402 1.0
O O84 1 0.87682814 0.11660855 0.49244409 1.0
O O85 1 0.88025633 0.12245860 0.99615322 1.0
O O86 1 0.87460349 0.61811936 0.48981835 1.0
O O87 1 0.87562998 0.61101682 0.99194221 1.0
O O88 1 0.39023127 0.39239341 0.01501430 1.0
O O89 1 0.37543768 0.37144720 0.50393203 1.0
O O90 1 0.38985513 0.88691935 0.02206011 1.0
O O91 1 0.37600815 0.87609139 0.49997116 1.0
O O92 1 0.87866345 0.37842402 0.01485868 1.0
O O93 1 0.88043707 0.37643869 0.50331019 1.0
O O94 1 0.89557595 0.88700157 0.01551446 1.0
O O95 1 0.87651850 0.87223475 0.50317505 1.0
O O96 1 0.09586232 0.10031985 0.14134689 1.0
O O97 1 0.08989682 0.09319029 0.64622546 1.0
O O98 1 0.08518824 0.60303158 0.13887257 1.0
O O99 1 0.07953241 0.59348566 0.64394064 1.0
O O100 1 0.59142557 0.10795993 0.14166378 1.0
O O101 1 0.57982604 0.09268656 0.64393165 1.0
O O102 1 0.58917713 0.60600374 0.13985534 1.0
O O103 1 0.58488029 0.59067090 0.64086198 1.0
O O104 1 0.43425006 0.40575601 0.34897931 1.0
O O105 1 0.45006149 0.40792542 0.86292345 1.0
O O106 1 0.43826287 0.90776297 0.35555669 1.0
O O107 1 0.44812197 0.90995330 0.86518696 1.0
O O108 1 0.93438119 0.40660348 0.35077079 1.0
O O109 1 0.94350801 0.40195287 0.86364076 1.0
O O110 1 0.93771753 0.90958830 0.35335430 1.0
O O111 1 0.95164555 0.89869205 0.86244763 1.0
O O112 1 0.33689132 0.28691151 0.13654258 1.0
O O113 1 0.33185285 0.29798071 0.64201029 1.0
O O114 1 0.33585853 0.78199241 0.14185801 1.0
O O115 1 0.33041622 0.79987010 0.64373906 1.0
O O116 1 0.84796134 0.28484377 0.14190502 1.0
O O117 1 0.83292151 0.30477115 0.64605540 1.0
O O118 1 0.84255743 0.78679179 0.14070743 1.0
O O119 1 0.83423148 0.79812760 0.64114170 1.0
O O120 1 0.18392101 0.19752251 0.35006319 1.0
O O121 1 0.19549916 0.20654404 0.86719860 1.0
O O122 1 0.18176215 0.70055884 0.34988177 1.0
O O123 1 0.19670345 0.71615748 0.86088755 1.0
O O124 1 0.68450350 0.19407351 0.35204984 1.0
O O125 1 0.68819701 0.21200970 0.85611006 1.0
O O126 1 0.68294103 0.69414386 0.34999182 1.0
O O127 1 0.70176058 0.70973497 0.86174231 1.0
O O128 1 0.42278569 0.05952470 0.23869196 1.0
O O129 1 0.43114361 0.06544493 0.75258894 1.0
O O130 1 0.42370473 0.55990131 0.23744082 1.0
O O131 1 0.43276618 0.56879060 0.75281127 1.0
O O132 1 0.92412157 0.06008163 0.23826139 1.0
O O133 1 0.93353885 0.06549453 0.75301168 1.0
O O134 1 0.92361469 0.56031741 0.23831236 1.0
O O135 1 0.93011538 0.57476157 0.76150767 1.0
O O136 1 0.17505496 0.43179674 0.23831469 1.0
O O137 1 0.18309181 0.43949951 0.75474228 1.0
O O138 1 0.17065098 0.92590964 0.24594967 1.0
O O139 1 0.18172431 0.93377759 0.76061304 1.0
O O140 1 0.67505503 0.42907844 0.23775512 1.0
O O141 1 0.67831800 0.43464241 0.75975728 1.0
O O142 1 0.67575072 0.92978575 0.23914572 1.0
O O143 1 0.68658687 0.94082148 0.75378435 1.0
