SrCa3Mn4O10
High-Entropy Materials HEAMP-ID: mp-1076184 · Space group: P1 (#1)
Basic Information
Formula
SrCa3Mn4O10
MP-ID
mp-1076184
Elements
4
Sites
144
Density
4.1190
g/cm³
Volume
1,895.07
ų
Cell a
10.9970
Å
Cell b
11.1882
Å
Cell c
17.2746
Å
α Angle
108.85
°
β Angle
108.49
°
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 |
|---|---|---|---|
| 5.74 | 15.4025 | 12.7 | (0,0,1) |
| 8.41 | 10.5186 | 2.4 | (0,1,0) |
| 8.54 | 10.3526 | 2.4 | (1,0,-1) |
| 11.49 | 7.7013 | 37.5 | (0,0,2) |
| 12.66 | 6.9931 | 1.2 | (1,1,0) |
| 12.67 | 6.9848 | 1.3 | (1,1,-2) |
| 16.12 | 5.4990 | 2.7 | (1,1,1) |
| 16.14 | 5.4910 | 2.7 | (1,1,-3) |
| 16.86 | 5.2593 | 2.4 | (0,2,0) |
| 16.87 | 5.2567 | 5.3 | (0,2,-2) |
| 17.27 | 5.1342 | 1.6 | (0,0,3) |
| 22.68 | 3.9214 | 4.0 | (2,2,-2) |
| 22.68 | 3.9214 | 4.1 | (2,-2,0) |
| 23.10 | 3.8506 | 5.3 | (0,0,4) |
| 23.51 | 3.7840 | 6.6 | (0,2,2) |
| 23.53 | 3.7811 | 9.2 | (0,2,-4) |
| 25.47 | 3.4965 | 1.3 | (2,2,0) |
| 25.49 | 3.4950 | 1.3 | (2,-2,2) |
| 25.49 | 3.4939 | 3.2 | (2,-2,-2) |
| 25.51 | 3.4924 | 3.3 | (2,2,-4) |
| 28.62 | 3.1186 | 1.1 | (2,2,1) |
| 28.64 | 3.1169 | 1.1 | (2,-2,3) |
| 32.00 | 2.7970 | 88.6 | (0,4,-2) |
| 32.57 | 2.7495 | 57.0 | (2,2,2) |
Energy Properties
Formation Energy/atom
-2.55314
eV/atom
Energy/atom
-7.76630
eV/atom
Energy above Hull
0.0686
eV/atom
Uncorrected Energy
-7.0140
eV/atom
Volume/atom
13.16
ų
c/a Ratio
1.5709
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
127.7813
μB
Mag. Ordering
FM
Mag. Sites
32
Magnetization/Volume
0.067430
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
1.1200
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3116
J/mol·K
Ω Parameter
6.8895
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.151%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0951
smaller = more stable mixing
VEC
4.222
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.827
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8079
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076184
Reference Citation
The crystal structure and related material properties of SrCa3Mn4O10 were obtained from the Materials Project database (MP-ID: mp-1076184, 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_SrCa3Mn4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.99701934
_cell_length_b 11.18815883
_cell_length_c 17.27463516
_cell_angle_alpha 108.85355296
_cell_angle_beta 108.49040604
_cell_angle_gamma 89.99939949
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCa3Mn4O10
_chemical_formula_sum 'Sr8 Ca24 Mn32 O80'
_cell_volume 1895.06694535
_cell_formula_units_Z 8
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 0.30816100 0.56103000 0.60994100 1.0
Sr Sr1 1 0.80638600 0.05953200 0.60980000 1.0
Sr Sr2 1 0.19831800 0.44098400 0.89238200 1.0
Sr Sr3 1 0.05708700 0.29860600 0.60869700 1.0
Sr Sr4 1 0.05778200 0.80039600 0.61001000 1.0
Sr Sr5 1 0.55790900 0.29934000 0.61010800 1.0
Sr Sr6 1 0.44823700 0.20031800 0.89053500 1.0
Sr Sr7 1 0.94621400 0.19968700 0.38737000 1.0
Ca Ca8 1 0.30574400 0.06336100 0.10697500 1.0
Ca Ca9 1 0.30610200 0.06034100 0.60434700 1.0
Ca Ca10 1 0.30621600 0.56415100 0.10843100 1.0
Ca Ca11 1 0.80515900 0.06250600 0.10520500 1.0
Ca Ca12 1 0.80616400 0.56341600 0.10709800 1.0
Ca Ca13 1 0.80533100 0.56266400 0.60609100 1.0
Ca Ca14 1 0.19944100 0.43674000 0.39227900 1.0
Ca Ca15 1 0.19942700 0.93552700 0.39237900 1.0
Ca Ca16 1 0.19964900 0.93821000 0.89569300 1.0
Ca Ca17 1 0.69811900 0.43726000 0.39280300 1.0
Ca Ca18 1 0.70112400 0.43808800 0.89556600 1.0
Ca Ca19 1 0.69827600 0.93557000 0.39199800 1.0
Ca Ca20 1 0.70021500 0.93692300 0.89403000 1.0
Ca Ca21 1 0.05627900 0.29372600 0.10749000 1.0
Ca Ca22 1 0.05589400 0.79347900 0.10696500 1.0
Ca Ca23 1 0.55664800 0.29388300 0.10808700 1.0
Ca Ca24 1 0.55642500 0.79373600 0.10717400 1.0
Ca Ca25 1 0.55653100 0.79418900 0.60625800 1.0
Ca Ca26 1 0.44892900 0.20610500 0.39172000 1.0
Ca Ca27 1 0.44908700 0.70624100 0.39265400 1.0
Ca Ca28 1 0.45109800 0.70731300 0.89532300 1.0
Ca Ca29 1 0.95015200 0.20686600 0.89528500 1.0
Ca Ca30 1 0.94859400 0.70501900 0.39171700 1.0
Ca Ca31 1 0.94886000 0.70763900 0.89438700 1.0
Mn Mn32 1 0.00608100 0.00022400 0.00044800 1.0
Mn Mn33 1 0.00466100 0.99792200 0.49784000 1.0
Mn Mn34 1 0.00576800 0.50114000 0.00187500 1.0
Mn Mn35 1 0.00317400 0.50020000 0.49736300 1.0
Mn Mn36 1 0.50683100 0.00003700 0.00158300 1.0
Mn Mn37 1 0.50380600 0.99835500 0.49774800 1.0
Mn Mn38 1 0.50761700 0.50180600 0.00229000 1.0
Mn Mn39 1 0.50493300 0.50013800 0.49800700 1.0
Mn Mn40 1 0.25604700 0.25069700 0.00247200 1.0
Mn Mn41 1 0.25453000 0.24765800 0.49696500 1.0
Mn Mn42 1 0.25628900 0.75200000 0.00165600 1.0
Mn Mn43 1 0.25517900 0.74968700 0.49758900 1.0
Mn Mn44 1 0.75669500 0.25058800 0.00084300 1.0
Mn Mn45 1 0.75286400 0.24991900 0.49785100 1.0
Mn Mn46 1 0.75620800 0.75033600 0.00032700 1.0
Mn Mn47 1 0.75330900 0.74775300 0.49731400 1.0
Mn Mn48 1 0.11144200 0.09444500 0.24741700 1.0
Mn Mn49 1 0.11209200 0.09521300 0.75326600 1.0
Mn Mn50 1 0.11005700 0.59623200 0.24979400 1.0
Mn Mn51 1 0.10917100 0.60045700 0.75115300 1.0
Mn Mn52 1 0.60750800 0.09568500 0.24917500 1.0
Mn Mn53 1 0.61092900 0.09412800 0.74951600 1.0
Mn Mn54 1 0.60934800 0.59602800 0.24947500 1.0
Mn Mn55 1 0.61498700 0.60169500 0.75297300 1.0
Mn Mn56 1 0.35916800 0.40363800 0.24998000 1.0
Mn Mn57 1 0.36612600 0.40479800 0.75195500 1.0
Mn Mn58 1 0.35906500 0.90305600 0.24989600 1.0
Mn Mn59 1 0.36404300 0.90324200 0.75047700 1.0
Mn Mn60 1 0.85858300 0.40583900 0.24873100 1.0
Mn Mn61 1 0.85981900 0.40686700 0.75260800 1.0
Mn Mn62 1 0.85876300 0.89983300 0.24744100 1.0
Mn Mn63 1 0.85941000 0.90088500 0.75214200 1.0
O O64 1 0.12723800 0.11658300 0.48925200 1.0
O O65 1 0.12326600 0.11986100 0.98899200 1.0
O O66 1 0.12239500 0.62093600 0.48555200 1.0
O O67 1 0.12254700 0.62549900 0.99163000 1.0
O O68 1 0.61985000 0.11850900 0.48476300 1.0
O O69 1 0.62801300 0.11904500 0.99136500 1.0
O O70 1 0.62334500 0.61976900 0.48758400 1.0
O O71 1 0.62545900 0.62147500 0.98894500 1.0
O O72 1 0.13437600 0.37965800 0.01451600 1.0
O O73 1 0.13267100 0.37788200 0.50537300 1.0
O O74 1 0.13606000 0.88112100 0.01247200 1.0
O O75 1 0.13608500 0.87961200 0.50721800 1.0
O O76 1 0.63824600 0.38208100 0.01400200 1.0
O O77 1 0.63479300 0.38204900 0.50823500 1.0
O O78 1 0.63565300 0.87918600 0.01231000 1.0
O O79 1 0.62998200 0.87408400 0.50743900 1.0
O O80 1 0.37153300 0.11458600 0.48576800 1.0
O O81 1 0.37344500 0.11652000 0.99240300 1.0
O O82 1 0.37501200 0.61954500 0.48667800 1.0
O O83 1 0.37838600 0.62372800 0.99237500 1.0
O O84 1 0.87064900 0.11537700 0.48813000 1.0
O O85 1 0.87455600 0.11791900 0.98819500 1.0
O O86 1 0.87052000 0.61686700 0.48646400 1.0
O O87 1 0.87347800 0.61803400 0.98841200 1.0
O O88 1 0.38720800 0.38441000 0.01572600 1.0
O O89 1 0.38285700 0.37871900 0.50511100 1.0
O O90 1 0.38612900 0.88228400 0.01229900 1.0
O O91 1 0.38493900 0.88076900 0.51020200 1.0
O O92 1 0.88562900 0.38235500 0.01265400 1.0
O O93 1 0.87930600 0.38461100 0.50829800 1.0
O O94 1 0.88609200 0.88226400 0.01239300 1.0
O O95 1 0.88163000 0.87687900 0.50464500 1.0
O O96 1 0.07984500 0.09387500 0.13103600 1.0
O O97 1 0.07864700 0.08275600 0.63477000 1.0
O O98 1 0.07830100 0.59462500 0.13246600 1.0
O O99 1 0.07354200 0.58633300 0.63274600 1.0
O O100 1 0.57912800 0.09343900 0.13291200 1.0
O O101 1 0.57550300 0.08560500 0.63100900 1.0
O O102 1 0.58016700 0.59521900 0.13327100 1.0
O O103 1 0.57816800 0.59153900 0.63281900 1.0
O O104 1 0.44557100 0.40676600 0.36554100 1.0
O O105 1 0.44784700 0.41245000 0.86943400 1.0
O O106 1 0.44436700 0.90484700 0.36544000 1.0
O O107 1 0.44916600 0.90812600 0.86785500 1.0
O O108 1 0.94391900 0.41320900 0.36423800 1.0
O O109 1 0.94396800 0.40576200 0.86810300 1.0
O O110 1 0.94534600 0.90731100 0.36421500 1.0
O O111 1 0.94654600 0.90457000 0.86894400 1.0
O O112 1 0.32876700 0.28908900 0.13457000 1.0
O O113 1 0.32639000 0.29139900 0.63335000 1.0
O O114 1 0.32913900 0.79039700 0.13438100 1.0
O O115 1 0.32703300 0.79502500 0.63224500 1.0
O O116 1 0.82992100 0.28960700 0.13407100 1.0
O O117 1 0.82336700 0.29799900 0.63451500 1.0
O O118 1 0.82747900 0.78653100 0.13175400 1.0
O O119 1 0.82375900 0.79147800 0.63270700 1.0
O O120 1 0.19382100 0.20872000 0.36448300 1.0
O O121 1 0.19374800 0.20699300 0.86877800 1.0
O O122 1 0.19670900 0.71130400 0.36680900 1.0
O O123 1 0.19548100 0.71091900 0.86763300 1.0
O O124 1 0.69007600 0.21065800 0.36522600 1.0
O O125 1 0.69495500 0.21070000 0.86696100 1.0
O O126 1 0.69395100 0.70934300 0.36559400 1.0
O O127 1 0.69908000 0.71546700 0.86965300 1.0
O O128 1 0.42514300 0.07168600 0.24932900 1.0
O O129 1 0.42674000 0.06578500 0.74330300 1.0
O O130 1 0.42657700 0.57211000 0.24981700 1.0
O O131 1 0.43717000 0.57325800 0.75743100 1.0
O O132 1 0.92673800 0.06177300 0.24131700 1.0
O O133 1 0.93425800 0.07076600 0.75746800 1.0
O O134 1 0.92508700 0.57266400 0.24911600 1.0
O O135 1 0.92820900 0.57474800 0.75154900 1.0
O O136 1 0.17707100 0.42599800 0.24964200 1.0
O O137 1 0.18562000 0.43962000 0.75059100 1.0
O O138 1 0.17802700 0.92537400 0.24943200 1.0
O O139 1 0.18651600 0.93404200 0.75861100 1.0
O O140 1 0.67650900 0.42591000 0.24945800 1.0
O O141 1 0.68461000 0.43542200 0.75820000 1.0
O O142 1 0.67742900 0.92740900 0.25006800 1.0
O O143 1 0.67718300 0.92580400 0.75077300 1.0
