SrCa7Mn6(FeO10)2
High-Entropy Materials HEAMP-ID: mp-1077691 · Space group: P1 (#1)
Basic Information
Formula
SrCa7Mn6(FeO10)2
MP-ID
mp-1077691
Elements
5
Sites
144
Density
4.0077
g/cm³
Volume
1,871.95
ų
Cell a
10.9360
Å
Cell b
11.1416
Å
Cell c
17.2181
Å
α Angle
108.80
°
β Angle
108.43
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 5.75 | 15.3635 | 4.5 | (0,0,1) |
| 8.44 | 10.4791 | 1.8 | (0,1,0) |
| 11.52 | 7.6817 | 38.8 | (0,0,2) |
| 11.73 | 7.5457 | 1.1 | (0,1,1) |
| 16.92 | 5.2396 | 2.3 | (0,2,0) |
| 16.94 | 5.2348 | 5.5 | (0,2,-2) |
| 22.79 | 3.9024 | 8.6 | (2,-2,0) |
| 22.79 | 3.9022 | 8.6 | (2,2,-2) |
| 23.16 | 3.8409 | 10.7 | (0,0,4) |
| 23.58 | 3.7729 | 7.0 | (0,2,2) |
| 23.62 | 3.7675 | 10.1 | (0,2,-4) |
| 25.58 | 3.4820 | 1.2 | (2,2,0) |
| 25.60 | 3.4793 | 1.2 | (2,-2,2) |
| 25.61 | 3.4790 | 3.3 | (2,-2,-2) |
| 25.63 | 3.4761 | 3.3 | (2,2,-4) |
| 32.14 | 2.7854 | 88.1 | (0,4,-2) |
| 32.68 | 2.7402 | 56.7 | (2,2,2) |
| 32.71 | 2.7375 | 55.9 | (2,-2,4) |
| 32.72 | 2.7373 | 55.8 | (2,-2,-4) |
| 32.75 | 2.7345 | 55.0 | (2,2,-6) |
| 32.76 | 2.7340 | 100.0 | (4,0,-2) |
| 33.28 | 2.6922 | 7.8 | (0,2,4) |
| 33.32 | 2.6889 | 5.1 | (0,2,-6) |
| 35.04 | 2.5606 | 2.1 | (0,0,6) |
Energy Properties
Formation Energy/atom
-2.50262
eV/atom
Energy/atom
-7.68603
eV/atom
Energy above Hull
0.0820
eV/atom
Uncorrected Energy
-6.9010
eV/atom
Volume/atom
13.00
ų
c/a Ratio
1.5745
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
135.6128
μB
Mag. Ordering
FM
Mag. Sites
32
Magnetization/Volume
0.072440
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
3.9712
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.070%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0819
smaller = more stable mixing
VEC
4.278
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.588
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-1077691
Reference Citation
The crystal structure and related material properties of SrCa7Mn6(FeO10)2 were obtained from the Materials Project database (MP-ID: mp-1077691, 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_SrCa7Mn6(FeO10)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.93596529
_cell_length_b 11.14162386
_cell_length_c 17.21813982
_cell_angle_alpha 108.79943468
_cell_angle_beta 108.43227457
_cell_angle_gamma 90.00193635
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCa7Mn6(FeO10)2
_chemical_formula_sum 'Sr4 Ca28 Mn24 Fe8 O80'
_cell_volume 1871.95448015
_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 0.30834000 0.56072300 0.60985400 1.0
Sr Sr1 1 0.05778400 0.29789400 0.61078300 1.0
Sr Sr2 1 0.55978600 0.29912200 0.61113200 1.0
Sr Sr3 1 0.44768400 0.20038100 0.88948500 1.0
Ca Ca4 1 0.30462700 0.06418600 0.10787900 1.0
Ca Ca5 1 0.30224500 0.06020500 0.60391300 1.0
Ca Ca6 1 0.30555600 0.56563300 0.10849700 1.0
Ca Ca7 1 0.80602200 0.06381800 0.10767300 1.0
Ca Ca8 1 0.80622500 0.06141800 0.60641400 1.0
Ca Ca9 1 0.80693600 0.56458100 0.10832600 1.0
Ca Ca10 1 0.80735400 0.56312400 0.60598800 1.0
Ca Ca11 1 0.19937900 0.43549200 0.39157600 1.0
Ca Ca12 1 0.19731900 0.43745100 0.89517800 1.0
Ca Ca13 1 0.19802600 0.93600300 0.39176600 1.0
Ca Ca14 1 0.19829300 0.93581000 0.89332000 1.0
Ca Ca15 1 0.69830700 0.43569200 0.39263800 1.0
Ca Ca16 1 0.69969300 0.43826600 0.89535600 1.0
Ca Ca17 1 0.69968200 0.93658000 0.39207900 1.0
Ca Ca18 1 0.70008800 0.93820900 0.89342100 1.0
Ca Ca19 1 0.05618300 0.29411500 0.10823500 1.0
Ca Ca20 1 0.05554300 0.79287400 0.10757500 1.0
Ca Ca21 1 0.05547600 0.79483700 0.60607500 1.0
Ca Ca22 1 0.55612700 0.29373100 0.10839600 1.0
Ca Ca23 1 0.55633300 0.79427900 0.10855700 1.0
Ca Ca24 1 0.55655000 0.79469900 0.60636200 1.0
Ca Ca25 1 0.44807900 0.20720400 0.39157300 1.0
Ca Ca26 1 0.44985600 0.70623900 0.39259900 1.0
Ca Ca27 1 0.44935200 0.70705700 0.89476500 1.0
Ca Ca28 1 0.94824700 0.20587900 0.39169200 1.0
Ca Ca29 1 0.95059600 0.20601400 0.89222800 1.0
Ca Ca30 1 0.94885700 0.70607100 0.39232500 1.0
Ca Ca31 1 0.94773600 0.70723700 0.89299300 1.0
Mn Mn32 1 0.00535300 0.99934600 0.49920000 1.0
Mn Mn33 1 0.00336600 0.49969700 0.49753700 1.0
Mn Mn34 1 0.50520700 0.49884900 0.49706600 1.0
Mn Mn35 1 0.25600700 0.25096800 0.00158500 1.0
Mn Mn36 1 0.25305600 0.24773700 0.49608600 1.0
Mn Mn37 1 0.25456400 0.74950000 0.49805200 1.0
Mn Mn38 1 0.75434900 0.24838500 0.49846600 1.0
Mn Mn39 1 0.75526600 0.74987100 0.49919700 1.0
Mn Mn40 1 0.10959400 0.09566300 0.24947400 1.0
Mn Mn41 1 0.10788300 0.09307100 0.75105800 1.0
Mn Mn42 1 0.11009100 0.59769000 0.25076000 1.0
Mn Mn43 1 0.10788100 0.60178100 0.75151000 1.0
Mn Mn44 1 0.60959600 0.09642500 0.25094000 1.0
Mn Mn45 1 0.61314000 0.09372000 0.74863300 1.0
Mn Mn46 1 0.60925800 0.59762500 0.25130300 1.0
Mn Mn47 1 0.61649200 0.60270900 0.75242100 1.0
Mn Mn48 1 0.35900100 0.40428900 0.24881300 1.0
Mn Mn49 1 0.36256800 0.40575900 0.75257500 1.0
Mn Mn50 1 0.35923500 0.90215700 0.25036700 1.0
Mn Mn51 1 0.35713000 0.90205900 0.74781800 1.0
Mn Mn52 1 0.85907100 0.40357900 0.24921300 1.0
Mn Mn53 1 0.86320800 0.40388300 0.75103300 1.0
Mn Mn54 1 0.86119800 0.90285700 0.25101200 1.0
Mn Mn55 1 0.85935500 0.90037600 0.74884600 1.0
Fe Fe56 1 0.00638600 0.00240000 0.00146600 1.0
Fe Fe57 1 0.00536800 0.49810800 0.99917600 1.0
Fe Fe58 1 0.50545100 0.00073200 0.00175500 1.0
Fe Fe59 1 0.50463700 0.99836600 0.49800100 1.0
Fe Fe60 1 0.50575000 0.50059000 0.00196900 1.0
Fe Fe61 1 0.25500900 0.75061500 0.00060700 1.0
Fe Fe62 1 0.75661700 0.25039700 0.00113400 1.0
Fe Fe63 1 0.75645400 0.75103700 0.00132000 1.0
O O64 1 0.12259200 0.11635000 0.48432400 1.0
O O65 1 0.12477200 0.12249900 0.98736400 1.0
O O66 1 0.12272700 0.62309300 0.48618600 1.0
O O67 1 0.12384900 0.62101900 0.98916200 1.0
O O68 1 0.62282100 0.11819700 0.48498200 1.0
O O69 1 0.62707300 0.11900800 0.99230000 1.0
O O70 1 0.62389100 0.62154200 0.48792100 1.0
O O71 1 0.62450700 0.62175100 0.98969600 1.0
O O72 1 0.13957700 0.37966000 0.01579300 1.0
O O73 1 0.13162600 0.37411000 0.50370900 1.0
O O74 1 0.13546700 0.88076300 0.01216400 1.0
O O75 1 0.13482100 0.87891800 0.50962800 1.0
O O76 1 0.63673500 0.38192900 0.01479700 1.0
O O77 1 0.63645100 0.38072600 0.50882900 1.0
O O78 1 0.63483300 0.87905500 0.01250000 1.0
O O79 1 0.63602100 0.87764800 0.51037500 1.0
O O80 1 0.37135900 0.11591700 0.48779500 1.0
O O81 1 0.37099400 0.11821700 0.99096500 1.0
O O82 1 0.37445400 0.61874900 0.48624700 1.0
O O83 1 0.37389900 0.61819800 0.98977500 1.0
O O84 1 0.87115000 0.11524600 0.48525300 1.0
O O85 1 0.87416900 0.11714100 0.98639900 1.0
O O86 1 0.87165200 0.62057300 0.48746500 1.0
O O87 1 0.87396700 0.61782200 0.98802300 1.0
O O88 1 0.38477900 0.38287600 0.01530000 1.0
O O89 1 0.38288100 0.37810200 0.50532000 1.0
O O90 1 0.38581900 0.88235300 0.01240600 1.0
O O91 1 0.38441400 0.87989300 0.50985000 1.0
O O92 1 0.88638200 0.38317200 0.01277000 1.0
O O93 1 0.87867100 0.38019600 0.50754500 1.0
O O94 1 0.88637800 0.88376500 0.01326900 1.0
O O95 1 0.88525900 0.88127000 0.51145400 1.0
O O96 1 0.08249600 0.09874600 0.13339500 1.0
O O97 1 0.07957500 0.08578000 0.62997700 1.0
O O98 1 0.08268100 0.59559000 0.13612500 1.0
O O99 1 0.07329400 0.59049900 0.63398000 1.0
O O100 1 0.58090500 0.09594600 0.13714400 1.0
O O101 1 0.58302000 0.08476300 0.63230300 1.0
O O102 1 0.58087600 0.59701200 0.13714300 1.0
O O103 1 0.57732600 0.59016700 0.63294500 1.0
O O104 1 0.44898800 0.40562400 0.36679600 1.0
O O105 1 0.44827300 0.40974500 0.86643100 1.0
O O106 1 0.44516400 0.90466800 0.36554300 1.0
O O107 1 0.44386400 0.90934900 0.86386800 1.0
O O108 1 0.94154500 0.40685900 0.36377800 1.0
O O109 1 0.95430900 0.40074600 0.86799700 1.0
O O110 1 0.94438900 0.90556300 0.36751000 1.0
O O111 1 0.94745000 0.90505200 0.86367700 1.0
O O112 1 0.32745300 0.28528300 0.13003800 1.0
O O113 1 0.32213300 0.29477800 0.63323100 1.0
O O114 1 0.32975700 0.79076000 0.13523300 1.0
O O115 1 0.32638000 0.79436600 0.63135300 1.0
O O116 1 0.83225400 0.28936200 0.13558200 1.0
O O117 1 0.82177900 0.28507500 0.62915600 1.0
O O118 1 0.83289400 0.78899300 0.13582000 1.0
O O119 1 0.82730900 0.78927100 0.63188500 1.0
O O120 1 0.19752300 0.21053700 0.36696500 1.0
O O121 1 0.19486500 0.21539200 0.87177400 1.0
O O122 1 0.19467500 0.71002300 0.36650600 1.0
O O123 1 0.19534200 0.71350100 0.86659200 1.0
O O124 1 0.69471200 0.20896700 0.36640900 1.0
O O125 1 0.69128600 0.20805900 0.86394800 1.0
O O126 1 0.69567700 0.71055500 0.36748700 1.0
O O127 1 0.70019300 0.71566300 0.86623200 1.0
O O128 1 0.42725200 0.07251500 0.25016100 1.0
O O129 1 0.42894000 0.06384300 0.74122900 1.0
O O130 1 0.42976500 0.57658400 0.25034000 1.0
O O131 1 0.43619800 0.57388700 0.75764400 1.0
O O132 1 0.92501800 0.06983200 0.25009500 1.0
O O133 1 0.91986500 0.06805400 0.74929200 1.0
O O134 1 0.92508000 0.57407000 0.25031300 1.0
O O135 1 0.92830000 0.57810700 0.74964900 1.0
O O136 1 0.17305400 0.43090700 0.25014400 1.0
O O137 1 0.18634900 0.43908500 0.75837600 1.0
O O138 1 0.17888400 0.92353900 0.24986200 1.0
O O139 1 0.17920900 0.91960700 0.75004500 1.0
O O140 1 0.67771500 0.42721800 0.25021900 1.0
O O141 1 0.68377800 0.44118900 0.75913300 1.0
O O142 1 0.67446200 0.92775000 0.25021000 1.0
O O143 1 0.67593200 0.92229200 0.74985300 1.0
