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Sr6Nd4Mn3(RhO10)2

High-Entropy Materials HEA

MP-ID: mp-1173199 · Space group: P1 (#1)

Basic Information

Formula
Sr6Nd4Mn3(RhO10)2
MP-ID
mp-1173199
Elements
5
Sites
35
Density
5.5514
g/cm³
Volume
536.41
ų
Cell a
3.9501
Å
Cell b
25.6701
Å
Cell c
6.7953
Å
α Angle
56.14
°
β Angle
105.62
°
γ Angle
88.09
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
4.26 20.7502 100.0 (0,1,0)
8.52 10.3751 6.1 (0,2,0)
12.80 6.9167 1.3 (0,3,0)
13.59 6.5141 1.8 (0,2,1)
13.85 6.3928 12.3 (0,3,1)
14.64 6.0514 14.1 (0,1,1)
15.35 5.7718 5.0 (0,4,1)
16.75 5.2930 3.4 (0,0,1)
17.79 4.9869 19.9 (0,5,1)
20.84 4.2621 30.5 (0,6,1)
21.41 4.1500 5.3 (0,5,0)
22.92 3.8807 10.7 (0,2,-1)
23.42 3.7991 3.6 (1,1,0)
23.59 3.7719 6.1 (1,2,0)
23.68 3.7578 6.8 (1,-1,-1)
24.03 3.7030 2.4 (1,0,0)
24.05 3.7002 4.8 (1,-2,-1)
24.08 3.6951 5.7 (1,0,-1)
24.30 3.6629 6.1 (0,7,1)
25.24 3.5288 2.8 (1,1,-1)
25.38 3.5090 3.1 (1,-1,0)
25.76 3.4584 9.5 (0,6,0)
26.17 3.4054 3.9 (1,4,0)
26.96 3.3074 1.6 (1,-4,-1)
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Energy Properties

Formation Energy/atom
-2.24517
eV/atom
Energy/atom
-7.11377
eV/atom
Energy above Hull
0.5807
eV/atom
Uncorrected Energy
-6.8788
eV/atom
Volume/atom
15.33
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
10.8148
μB
Mag. Ordering
FM
Mag. Sites
5
Magnetization/Volume
0.020160
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2441
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.3437
J/mol·K
Ω Parameter
3.6841
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.763%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0990
smaller = more stable mixing
VEC
4.086
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.734
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7730
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1173199
Reference Citation

The crystal structure and related material properties of Sr6Nd4Mn3(RhO10)2 were obtained from the Materials Project database (MP-ID: mp-1173199, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sr6Nd4Mn3(RhO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95014147
_cell_length_b   25.67009728
_cell_length_c   6.79527374
_cell_angle_alpha   56.14382414
_cell_angle_beta   105.62051507
_cell_angle_gamma   88.09420149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6Nd4Mn3(RhO10)2
_chemical_formula_sum   'Sr6 Nd4 Mn3 Rh2 O20'
_cell_volume   536.41170309
_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  0.63092200  0.31756200  0.13344000  1.0
  Sr  Sr1  1  0.66524400  0.46656200  0.13157000  1.0
  Sr  Sr2  1  0.43749900  0.77517200  0.69375300  1.0
  Sr  Sr3  1  0.56167900  0.93106000  0.97409700  1.0
  Sr  Sr4  1  0.39430700  0.15298700  0.67783300  1.0
  Sr  Sr5  1  0.32905900  0.30497900  0.64560700  1.0
  Nd  Nd6  1  0.74762900  0.06902900  0.37556500  1.0
  Nd  Nd7  1  0.29779800  0.57076300  0.44967300  1.0
  Nd  Nd8  1  0.83891000  0.70143100  0.51288100  1.0
  Nd  Nd9  1  0.84064400  0.91102300  0.52149300  1.0
  Mn  Mn10  1  0.12780400  0.01408200  0.11503700  1.0
  Mn  Mn11  1  0.04723800  0.18819600  0.01450600  1.0
  Mn  Mn12  1  0.98755600  0.44975900  0.77805100  1.0
  Rh  Rh13  1  0.12592200  0.78708600  0.07691500  1.0
  Rh  Rh14  1  0.53951300  0.61485700  0.92384700  1.0
  O  O15  1  0.04736500  0.10261100  0.98338800  1.0
  O  O16  1  0.05436000  0.25537700  0.04777400  1.0
  O  O17  1  0.98575500  0.52281900  0.79456500  1.0
  O  O18  1  0.05246600  0.63499500  0.96529700  1.0
  O  O19  1  0.23316700  0.12226400  0.37414400  1.0
  O  O20  1  0.13640800  0.37580900  0.16562100  1.0
  O  O21  1  0.73458700  0.37847100  0.55555600  1.0
  O  O22  1  0.34506500  0.65412500  0.51267300  1.0
  O  O23  1  0.31212000  0.98567300  0.48491600  1.0
  O  O24  1  0.64054800  0.01334800  0.13985500  1.0
  O  O25  1  0.54647100  0.17968400  0.00742500  1.0
  O  O26  1  0.47436900  0.45711500  0.75417900  1.0
  O  O27  1  0.73230000  0.55342700  0.30418300  1.0
  O  O28  1  0.04936300  0.87870400  0.92491500  1.0
  O  O29  1  0.97781500  0.01888600  0.81370700  1.0
  O  O30  1  0.85303500  0.23895100  0.62468900  1.0
  O  O31  1  0.04555700  0.39618500  0.65660700  1.0
  O  O32  1  0.62610500  0.76943300  0.06552000  1.0
  O  O33  1  0.83370300  0.79548500  0.47756100  1.0
  O  O34  1  0.24771700  0.91208600  0.32315600  1.0
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