Sr7CaFe6(CoO10)2
High-Entropy Materials HEAMP-ID: mp-1076631 · Space group: P1 (#1)
Basic Information
Formula
Sr7CaFe6(CoO10)2
MP-ID
mp-1076631
Elements
5
Sites
144
Density
4.7633
g/cm³
Volume
1,988.95
ų
Cell a
11.0131
Å
Cell b
11.4013
Å
Cell c
17.7131
Å
α Angle
108.73
°
β Angle
108.05
°
γ Angle
90.34
°
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 |
|---|---|---|---|
| 5.58 | 15.8405 | 3.3 | (0,0,1) |
| 11.17 | 7.9203 | 33.6 | (0,0,2) |
| 16.52 | 5.3659 | 3.4 | (0,2,-2) |
| 16.53 | 5.3617 | 1.6 | (0,2,0) |
| 22.38 | 3.9723 | 2.8 | (2,-2,0) |
| 22.52 | 3.9487 | 2.7 | (2,2,-2) |
| 22.94 | 3.8761 | 11.0 | (0,2,-4) |
| 22.97 | 3.8714 | 8.3 | (0,2,2) |
| 25.08 | 3.5510 | 4.2 | (2,-2,2) |
| 25.08 | 3.5506 | 1.3 | (2,-2,-2) |
| 25.19 | 3.5361 | 1.1 | (2,2,-4) |
| 25.22 | 3.5317 | 4.4 | (2,2,0) |
| 31.38 | 2.8503 | 89.9 | (0,4,-2) |
| 31.91 | 2.8048 | 67.4 | (2,-2,4) |
| 31.91 | 2.8043 | 70.7 | (2,-2,-4) |
| 31.98 | 2.7983 | 69.8 | (2,2,-6) |
| 32.03 | 2.7941 | 67.6 | (2,2,2) |
| 32.31 | 2.7706 | 4.0 | (0,2,-6) |
| 32.35 | 2.7678 | 6.0 | (0,2,4) |
| 32.52 | 2.7532 | 100.0 | (4,0,-2) |
| 33.96 | 2.6401 | 4.3 | (0,0,6) |
| 35.84 | 2.5058 | 2.1 | (2,-4,2) |
| 35.84 | 2.5053 | 2.7 | (2,-4,0) |
| 36.01 | 2.4942 | 1.7 | (2,4,-4) |
Energy Properties
Formation Energy/atom
-2.30314
eV/atom
Energy/atom
-7.24477
eV/atom
Energy above Hull
0.0211
eV/atom
Uncorrected Energy
-6.3961
eV/atom
Volume/atom
13.81
ų
c/a Ratio
1.6084
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
141.6598
μB
Mag. Ordering
FiM
Mag. Sites
88
Magnetization/Volume
0.071220
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
25.1499
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.635%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0562
smaller = more stable mixing
VEC
4.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.265
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-1076631
Reference Citation
The crystal structure and related material properties of Sr7CaFe6(CoO10)2 were obtained from the Materials Project database (MP-ID: mp-1076631, 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_Sr7CaFe6(CoO10)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01309516
_cell_length_b 11.40126484
_cell_length_c 17.71306116
_cell_angle_alpha 108.72705031
_cell_angle_beta 108.04807259
_cell_angle_gamma 90.34148599
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7CaFe6(CoO10)2
_chemical_formula_sum 'Sr28 Ca4 Fe24 Co8 O80'
_cell_volume 1988.94778511
_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 0.30998000 0.06300800 0.60898400 1.0
Sr Sr1 1 0.30618600 0.56369600 0.60908800 1.0
Sr Sr2 1 0.80240400 0.06333700 0.60979100 1.0
Sr Sr3 1 0.80782400 0.56542500 0.10957800 1.0
Sr Sr4 1 0.80708400 0.56348000 0.60946800 1.0
Sr Sr5 1 0.19703200 0.43390800 0.38952800 1.0
Sr Sr6 1 0.19743500 0.43774800 0.89272300 1.0
Sr Sr7 1 0.20041100 0.93693400 0.38817000 1.0
Sr Sr8 1 0.19670600 0.93572900 0.89281500 1.0
Sr Sr9 1 0.69607900 0.43626100 0.39007100 1.0
Sr Sr10 1 0.69971200 0.44036000 0.89272000 1.0
Sr Sr11 1 0.69098000 0.93630000 0.38945800 1.0
Sr Sr12 1 0.70001300 0.93495800 0.89304800 1.0
Sr Sr13 1 0.05396100 0.29106300 0.11059000 1.0
Sr Sr14 1 0.05631500 0.29530300 0.60885300 1.0
Sr Sr15 1 0.05646100 0.79654400 0.60893900 1.0
Sr Sr16 1 0.55769900 0.29406300 0.10980900 1.0
Sr Sr17 1 0.55631500 0.29289800 0.60874000 1.0
Sr Sr18 1 0.55687200 0.79766900 0.10989000 1.0
Sr Sr19 1 0.55631200 0.79807300 0.60913100 1.0
Sr Sr20 1 0.44544300 0.20007500 0.38661200 1.0
Sr Sr21 1 0.44684600 0.20811100 0.89202300 1.0
Sr Sr22 1 0.44616500 0.70600400 0.38746700 1.0
Sr Sr23 1 0.45078800 0.70833400 0.89287200 1.0
Sr Sr24 1 0.94602200 0.20147400 0.38832700 1.0
Sr Sr25 1 0.94861000 0.20351400 0.89318500 1.0
Sr Sr26 1 0.94609900 0.70469700 0.38922700 1.0
Sr Sr27 1 0.94851800 0.70507000 0.89280800 1.0
Ca Ca28 1 0.29680900 0.06555500 0.10530500 1.0
Ca Ca29 1 0.30001300 0.56518100 0.10520700 1.0
Ca Ca30 1 0.79868600 0.06802600 0.10659200 1.0
Ca Ca31 1 0.05409000 0.78547000 0.10517600 1.0
Fe Fe32 1 0.00363500 0.99994500 0.49895600 1.0
Fe Fe33 1 0.00347900 0.49938200 0.49886300 1.0
Fe Fe34 1 0.50419100 0.50052300 0.50026800 1.0
Fe Fe35 1 0.25600300 0.25189700 0.00554000 1.0
Fe Fe36 1 0.25493400 0.24860200 0.49982300 1.0
Fe Fe37 1 0.25476200 0.75066300 0.49924300 1.0
Fe Fe38 1 0.75234000 0.24873800 0.49927000 1.0
Fe Fe39 1 0.75282800 0.75095300 0.50011700 1.0
Fe Fe40 1 0.10381600 0.08470200 0.24584200 1.0
Fe Fe41 1 0.10822600 0.09096300 0.75037300 1.0
Fe Fe42 1 0.11030800 0.59140400 0.24912500 1.0
Fe Fe43 1 0.10890700 0.59122300 0.75071400 1.0
Fe Fe44 1 0.60538200 0.09010400 0.24816700 1.0
Fe Fe45 1 0.61006600 0.09213300 0.75373100 1.0
Fe Fe46 1 0.60418000 0.59066800 0.24793400 1.0
Fe Fe47 1 0.60801800 0.59084100 0.74880300 1.0
Fe Fe48 1 0.35691700 0.40790800 0.24746500 1.0
Fe Fe49 1 0.35745700 0.40984200 0.74943800 1.0
Fe Fe50 1 0.34897000 0.90601200 0.24161200 1.0
Fe Fe51 1 0.35746800 0.90907700 0.74953300 1.0
Fe Fe52 1 0.85781200 0.40743900 0.25019500 1.0
Fe Fe53 1 0.85811400 0.40863600 0.75016600 1.0
Fe Fe54 1 0.85826700 0.91274400 0.24868800 1.0
Fe Fe55 1 0.85792400 0.90774700 0.74961600 1.0
Co Co56 1 0.00808500 0.00053900 0.00792800 1.0
Co Co57 1 0.00939100 0.50220800 0.00608800 1.0
Co Co58 1 0.50689100 0.00380800 0.00419800 1.0
Co Co59 1 0.50366700 0.00027000 0.49962000 1.0
Co Co60 1 0.50548200 0.50276500 0.00602600 1.0
Co Co61 1 0.25599000 0.75394600 0.00692700 1.0
Co Co62 1 0.75775600 0.24873200 0.99979500 1.0
Co Co63 1 0.76221700 0.75724500 0.00952200 1.0
O O64 1 0.12504800 0.12205500 0.49170900 1.0
O O65 1 0.12786400 0.12196500 0.99445700 1.0
O O66 1 0.12403400 0.62188200 0.49097100 1.0
O O67 1 0.13184500 0.62460100 0.99629400 1.0
O O68 1 0.62236900 0.12140500 0.49155000 1.0
O O69 1 0.63234500 0.13333600 0.99452200 1.0
O O70 1 0.62361100 0.62269500 0.49135300 1.0
O O71 1 0.63581100 0.63656000 0.99411400 1.0
O O72 1 0.13289400 0.38399700 0.01399500 1.0
O O73 1 0.13209200 0.37672400 0.50656000 1.0
O O74 1 0.13224300 0.88180300 0.01580800 1.0
O O75 1 0.13242400 0.87743500 0.50653500 1.0
O O76 1 0.62727600 0.38939400 0.00920500 1.0
O O77 1 0.63139300 0.37704100 0.50690300 1.0
O O78 1 0.63713600 0.88954100 0.01374000 1.0
O O79 1 0.62980100 0.87791400 0.50630000 1.0
O O80 1 0.37508700 0.11907100 0.49136200 1.0
O O81 1 0.37642500 0.11960100 0.99458200 1.0
O O82 1 0.37382900 0.61969900 0.49083100 1.0
O O83 1 0.38361000 0.61454900 0.99432000 1.0
O O84 1 0.87287500 0.11946400 0.49108000 1.0
O O85 1 0.87744700 0.11215900 0.99546200 1.0
O O86 1 0.87372800 0.61994300 0.49129900 1.0
O O87 1 0.88527300 0.61517100 0.99457800 1.0
O O88 1 0.37932800 0.38338200 0.01464700 1.0
O O89 1 0.38093900 0.37792900 0.50487900 1.0
O O90 1 0.37649800 0.87699200 0.01197700 1.0
O O91 1 0.38279800 0.88012000 0.50623300 1.0
O O92 1 0.88141100 0.37767200 0.01088200 1.0
O O93 1 0.88141300 0.37930900 0.50679000 1.0
O O94 1 0.88446900 0.87647400 0.01525100 1.0
O O95 1 0.88055900 0.87945500 0.50607200 1.0
O O96 1 0.09753400 0.10056600 0.14364800 1.0
O O97 1 0.08150500 0.09253600 0.63929200 1.0
O O98 1 0.08834400 0.60030100 0.13993300 1.0
O O99 1 0.08114100 0.59391100 0.63961400 1.0
O O100 1 0.59831900 0.10139900 0.14433200 1.0
O O101 1 0.58788200 0.10165800 0.64748200 1.0
O O102 1 0.59049000 0.60129000 0.14198000 1.0
O O103 1 0.57874700 0.59250800 0.63718100 1.0
O O104 1 0.44169600 0.40658400 0.35799500 1.0
O O105 1 0.44208200 0.40287900 0.85715200 1.0
O O106 1 0.43534000 0.90017200 0.34866700 1.0
O O107 1 0.44270600 0.90064900 0.85635700 1.0
O O108 1 0.94077100 0.40585700 0.36087600 1.0
O O109 1 0.94275100 0.40323600 0.85971100 1.0
O O110 1 0.94367900 0.91009700 0.35927300 1.0
O O111 1 0.94284300 0.89748400 0.85552500 1.0
O O112 1 0.33288000 0.28416000 0.14131200 1.0
O O113 1 0.33004300 0.29681700 0.63817300 1.0
O O114 1 0.33246000 0.78168400 0.13713800 1.0
O O115 1 0.32995100 0.79671900 0.63784800 1.0
O O116 1 0.83555000 0.28766700 0.14380300 1.0
O O117 1 0.83102600 0.29639000 0.63911600 1.0
O O118 1 0.84210900 0.79298400 0.14292000 1.0
O O119 1 0.82898600 0.79614900 0.63751500 1.0
O O120 1 0.18889500 0.19681900 0.35770000 1.0
O O121 1 0.19184200 0.20567700 0.86054100 1.0
O O122 1 0.19077600 0.70402600 0.35955100 1.0
O O123 1 0.19241000 0.70347100 0.86037400 1.0
O O124 1 0.68558900 0.20247800 0.36005200 1.0
O O125 1 0.69492000 0.20725900 0.86365200 1.0
O O126 1 0.68646100 0.70281700 0.35891900 1.0
O O127 1 0.69483900 0.70537600 0.85609200 1.0
O O128 1 0.42438900 0.05830800 0.23807700 1.0
O O129 1 0.43350800 0.06355300 0.75120400 1.0
O O130 1 0.42507600 0.55920500 0.23992600 1.0
O O131 1 0.43381300 0.56387900 0.75048700 1.0
O O132 1 0.92465300 0.06461500 0.24131300 1.0
O O133 1 0.93427000 0.06238600 0.75066200 1.0
O O134 1 0.93663800 0.55876000 0.24874000 1.0
O O135 1 0.93438600 0.56179800 0.75054800 1.0
O O136 1 0.18429800 0.43904200 0.24922700 1.0
O O137 1 0.18320700 0.43769200 0.75014600 1.0
O O138 1 0.17118600 0.92603400 0.23996500 1.0
O O139 1 0.18342000 0.93826800 0.75084500 1.0
O O140 1 0.68406000 0.44027800 0.24969400 1.0
O O141 1 0.68422700 0.43839500 0.74972400 1.0
O O142 1 0.68441700 0.93875800 0.25020800 1.0
O O143 1 0.68465300 0.93814100 0.75146700 1.0
