Sr21Co14O43
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-758139 · Space group: C2/m (#12)
Basic Information
Formula
Sr21Co14O43
MP-ID
mp-758139
Elements
3
Sites
78
Density
5.1581
g/cm³
Volume
1,079.44
ų
Cell a
11.8844
Å
Cell b
11.8844
Å
Cell c
8.6821
Å
α Angle
85.49
°
β Angle
85.49
°
γ Angle
117.07
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 8.72 | 10.1371 | 3.4 | (1,-1,0,0) |
| 17.50 | 5.0685 | 10.1 | (2,-2,0,0) |
| 23.06 | 3.8561 | 4.2 | (2,1,-3,1) |
| 23.38 | 3.8042 | 4.1 | (1,0,-1,-2) |
| 26.38 | 3.3790 | 5.5 | (3,-3,0,0) |
| 31.72 | 2.8212 | 100.0 | (4,-1,-3,1) |
| 31.96 | 2.8007 | 98.7 | (3,-2,-1,-2) |
| 32.45 | 2.7589 | 57.3 | (2,2,-4,-1) |
| 32.48 | 2.7567 | 56.9 | (1,1,-2,3) |
| 33.67 | 2.6620 | 1.7 | (3,1,-4,-1) |
| 33.69 | 2.6601 | 1.8 | (2,0,-2,3) |
| 35.42 | 2.5343 | 2.9 | (4,-4,0,0) |
| 38.62 | 2.3311 | 7.4 | (5,-2,-3,1) |
| 38.83 | 2.3195 | 7.2 | (4,-3,-1,-2) |
| 42.29 | 2.1370 | 19.7 | (5,-1,-4,-1) |
| 42.31 | 2.1360 | 19.8 | (4,-2,-2,3) |
| 44.70 | 2.0274 | 22.6 | (5,-5,0,0) |
| 46.23 | 1.9639 | 37.0 | (3,3,-6,2) |
| 46.47 | 1.9541 | 5.7 | (6,-3,-3,1) |
| 46.64 | 1.9473 | 5.8 | (5,-4,-1,-2) |
| 46.92 | 1.9365 | 35.6 | (1,1,-2,-4) |
| 54.01 | 1.6980 | 2.0 | (6,0,-6,2) |
| 54.30 | 1.6895 | 5.2 | (6,-6,0,0) |
| 54.63 | 1.6801 | 2.0 | (4,-2,-2,-4) |
Energy Properties
Formation Energy/atom
-2.29728
eV/atom
Energy/atom
-6.76101
eV/atom
Energy above Hull
0.0079
eV/atom
Uncorrected Energy
-6.0883
eV/atom
Volume/atom
13.84
ų
c/a Ratio
0.7305
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
50.0003
μB
Mag. Ordering
FM
Mag. Sites
44
Magnetization/Volume
0.046320
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.551
Element Family
Metalloid-Nonmetal
Solute Fraction
0.449
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9899
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2298
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.857%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0967
smaller = more stable mixing
VEC
4.359
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9010
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.490
Family
O-rich Multi-Component
Matrix Element
O · 0.551
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-758139
Reference Citation
The crystal structure and related material properties of Sr21Co14O43 were obtained from the Materials Project database (MP-ID: mp-758139, 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_Sr21Co14O43
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.88443670
_cell_length_b 11.88443670
_cell_length_c 8.68209225
_cell_angle_alpha 85.49082430
_cell_angle_beta 85.49082430
_cell_angle_gamma 117.07228317
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr21Co14O43
_chemical_formula_sum 'Sr21 Co14 O43'
_cell_volume 1079.44302069
_cell_formula_units_Z 1
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 0.70755800 0.70755800 0.86015900 1.0
Sr Sr1 1 0.53155900 0.89381500 0.85621300 1.0
Sr Sr2 1 0.89381500 0.53155900 0.85621300 1.0
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1.0
Sr Sr4 1 0.18464500 0.81535500 0.00000000 1.0
Sr Sr5 1 0.81535500 0.18464500 0.00000000 1.0
Sr Sr6 1 0.75065200 0.38837600 0.28480400 1.0
Sr Sr7 1 0.10618500 0.46844100 0.14378700 1.0
Sr Sr8 1 0.38837600 0.75065200 0.28480400 1.0
Sr Sr9 1 0.56683100 0.56683100 0.27684100 1.0
Sr Sr10 1 0.29244200 0.29244200 0.13984100 1.0
Sr Sr11 1 0.46844100 0.10618500 0.14378700 1.0
Sr Sr12 1 0.32652300 0.96184200 0.57124300 1.0
Sr Sr13 1 0.96184200 0.32652300 0.57124300 1.0
Sr Sr14 1 0.03815800 0.67347700 0.42875700 1.0
Sr Sr15 1 0.85501800 0.85501800 0.43107200 1.0
Sr Sr16 1 0.67347700 0.03815800 0.42875700 1.0
Sr Sr17 1 0.14498200 0.14498200 0.56892800 1.0
Sr Sr18 1 0.24934800 0.61162400 0.71519600 1.0
Sr Sr19 1 0.61162400 0.24934800 0.71519600 1.0
Sr Sr20 1 0.43316900 0.43316900 0.72315900 1.0
Co Co21 1 0.31507700 0.11064200 0.85557100 1.0
Co Co22 1 0.11064200 0.31507700 0.85557100 1.0
Co Co23 1 0.59506500 0.40493500 0.00000000 1.0
Co Co24 1 0.88935800 0.68492300 0.14442900 1.0
Co Co25 1 0.68492300 0.88935800 0.14442900 1.0
Co Co26 1 0.40493500 0.59506500 0.00000000 1.0
Co Co27 1 0.45986300 0.25588600 0.43128900 1.0
Co Co28 1 0.17628400 0.97296400 0.28712400 1.0
Co Co29 1 0.25588600 0.45986300 0.43128900 1.0
Co Co30 1 0.97296400 0.17628400 0.28712400 1.0
Co Co31 1 0.74411400 0.54013700 0.56871100 1.0
Co Co32 1 0.54013700 0.74411400 0.56871100 1.0
Co Co33 1 0.82371600 0.02703600 0.71287600 1.0
Co Co34 1 0.02703600 0.82371600 0.71287600 1.0
O O35 1 0.78145300 0.94802100 0.91599300 1.0
O O36 1 0.94802100 0.78145300 0.91599300 1.0
O O37 1 0.40723200 0.01187100 0.85775300 1.0
O O38 1 0.01187100 0.40723200 0.85775300 1.0
O O39 1 0.74406700 0.56673800 0.07656200 1.0
O O40 1 0.25593300 0.43326200 0.92343800 1.0
O O41 1 0.43326200 0.25593300 0.92343800 1.0
O O42 1 0.30875900 0.69124100 0.00000000 1.0
O O43 1 0.69124100 0.30875900 0.00000000 1.0
O O44 1 0.56673800 0.74406700 0.07656200 1.0
O O45 1 0.50000000 0.50000000 0.00000000 1.0
O O46 1 0.00249100 0.83421000 0.21280200 1.0
O O47 1 0.51222400 0.33415200 0.22823800 1.0
O O48 1 0.33415200 0.51222400 0.22823800 1.0
O O49 1 0.21854700 0.05197900 0.08400700 1.0
O O50 1 0.98812900 0.59276800 0.14224700 1.0
O O51 1 0.05197900 0.21854700 0.08400700 1.0
O O52 1 0.83421000 0.00249100 0.21280200 1.0
O O53 1 0.59276800 0.98812900 0.14224700 1.0
O O54 1 0.12751200 0.29841300 0.35954000 1.0
O O55 1 0.29841300 0.12751200 0.35954000 1.0
O O56 1 0.62540800 0.79436800 0.36763500 1.0
O O57 1 0.15804700 0.55283800 0.43346600 1.0
O O58 1 0.26281700 0.87018000 0.28598200 1.0
O O59 1 0.79436800 0.62540800 0.36763500 1.0
O O60 1 0.55283800 0.15804700 0.43346600 1.0
O O61 1 0.87018000 0.26281700 0.28598200 1.0
O O62 1 0.41444300 0.58555700 0.50000000 1.0
O O63 1 0.44716200 0.84195300 0.56653400 1.0
O O64 1 0.58555700 0.41444300 0.50000000 1.0
O O65 1 0.91600900 0.08399100 0.50000000 1.0
O O66 1 0.20563200 0.37459200 0.63236500 1.0
O O67 1 0.37459200 0.20563200 0.63236500 1.0
O O68 1 0.08399100 0.91600900 0.50000000 1.0
O O69 1 0.84195300 0.44716200 0.56653400 1.0
O O70 1 0.87248800 0.70158700 0.64046000 1.0
O O71 1 0.70158700 0.87248800 0.64046000 1.0
O O72 1 0.73718300 0.12982000 0.71401800 1.0
O O73 1 0.16579000 0.99750900 0.78719800 1.0
O O74 1 0.12982000 0.73718300 0.71401800 1.0
O O75 1 0.99750900 0.16579000 0.78719800 1.0
O O76 1 0.66584800 0.48777600 0.77176200 1.0
O O77 1 0.48777600 0.66584800 0.77176200 1.0
