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The Mechanical Properties and Elastic Anisotropies of Cubic Ni3Al from First Principles Calculations

https://doi.org/10.3390/cryst8080307
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/pssa.2210640136openalex-snapshot
The elastic constants of Ni3Al at 0 and 23.5 °C
inferredcites →https://doi.org/10.1007/978-1-4899-5307-0openalex-snapshot
Anisotropy in Single-Crystal Refractory Compounds
inferredcites →https://doi.org/10.1007/s11661-999-0248-9openalex-snapshot
Temperature and composition dependence of the elastic constants of Ni3Al
inferredcites →https://doi.org/10.1016/0022-3697(63)90067-2openalex-snapshot
A simplified method for calculating the debye temperature from elastic constants
inferredcites →https://doi.org/10.1016/0956-7151(92)90312-3openalex-snapshot
Elasticity of Ni-based L12-type intermetallic compounds
inferredcites →https://doi.org/10.1016/j.ceramint.2015.01.132openalex-snapshot
Structural, anisotropic elastic and thermal properties of MB (M=Ti, Zr and Hf) monoborides
inferredcites →https://doi.org/10.1016/j.ceramint.2016.12.076openalex-snapshot
Comparison of thermal insulation capability between conventional and nanostructured plasma sprayed YSZ coating on Ni 3 Al substrates
inferredcites →https://doi.org/10.1016/j.commatsci.2011.09.016openalex-snapshot
Alloying element additions to Ni3Al: Site preferences and effects on elastic properties from first-principles calculations
inferredcites →https://doi.org/10.1016/j.ijrmhm.2012.02.021openalex-snapshot
Microscopic theory of hardness and design of novel superhard crystals
inferredcites →https://doi.org/10.1016/j.intermet.2010.02.024openalex-snapshot
Effects of alloying elements on elastic properties of Ni3Al by first-principles calculations
inferredcites →https://doi.org/10.1016/j.intermet.2013.09.003openalex-snapshot
First-principles investigations on structural, elastic, thermodynamic and electronic properties of Ni3X (X = Al, Ga and Ge) under pressure
inferredcites →https://doi.org/10.1016/j.intermet.2015.06.006openalex-snapshot
Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study
inferredcites →https://doi.org/10.1016/j.jallcom.2017.06.168openalex-snapshot
Influence of solidification history on precipitation behavior of TCP phase in a completely heat-treated Ni3Al based single crystal superalloy during thermal exposure
inferredcites →https://doi.org/10.1016/j.jcrysgro.2005.08.037openalex-snapshot
Dependence of stresses and strain energies on grain orientations in FCC metal films
inferredcites →https://doi.org/10.1016/j.jpcs.2007.01.025openalex-snapshot
Young's modulus surface and Poisson's ratio curve for cubic metals
inferredcites →https://doi.org/10.1016/j.microrel.2008.10.018openalex-snapshot
Towards elastic anisotropy and strain-induced void formation in Cu–Sn crystalline phases
inferredcites →https://doi.org/10.1016/j.microrel.2012.03.009openalex-snapshot
Crystal size and direction dependence of the elastic properties of Cu3Sn through molecular dynamics simulation and nanoindentation testing
inferredcites →https://doi.org/10.1016/j.mseb.2012.10.003openalex-snapshot
Mechanical and electronic properties of Ag3Sn intermetallic compound in lead free solders using ab initio atomistic calculation
inferredcites →https://doi.org/10.1016/j.spmi.2017.01.010openalex-snapshot
First-principles study of Ni-Al intermetallic compounds under various temperature and pressure
inferredcites →https://doi.org/10.1016/s0166-1280(00)00777-6openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0966-9795(99)00040-0openalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1004834204320openalex-snapshot
Relationship between deposition and recrystallization textures of copper and chromium electrodeposits
inferredcites →https://doi.org/10.1063/1.2358832openalex-snapshot
Structural and mechanical properties of Sn-based intermetallics from ab initio calculations
inferredcites →https://doi.org/10.1063/1.336488openalex-snapshot
Low-temperature heat capacities of Ni3Al
inferredcites →https://doi.org/10.1063/1.368733openalex-snapshot
Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2
inferredcites →https://doi.org/10.1080/14786440808520496openalex-snapshot
XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
inferredcites →https://doi.org/10.1088/0370-1298/65/5/307openalex-snapshot
The Elastic Behaviour of a Crystalline Aggregate
inferredcites →https://doi.org/10.1088/0953-8984/1/32/004openalex-snapshot
The high-temperature thermal expansion of Ni3Al measured by X-ray diffraction and dilation methods
inferredcites →https://doi.org/10.1088/0953-8984/14/11/301openalex-snapshot
First-principles simulation: ideas, illustrations and the CASTEP code
inferredcites →https://doi.org/10.1088/0953-8984/2/19/007openalex-snapshot
Finite basis set corrections to total energy pseudopotential calculations
inferredcites →https://doi.org/10.1088/1674-1056/25/10/107104openalex-snapshot
First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni 3 Al intermetallics
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.16.1746openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevb.90.134102openalex-snapshot
Electronic and bonding analysis of hardness in pyrite-type transition-metal pernitrides
inferredcites →https://doi.org/10.1103/physrevb.94.094111openalex-snapshot
Phase and structural stability in Ni-Al systems from first principles
inferredcites →https://doi.org/10.1103/physrevb.97.024101openalex-snapshot
Transition-metal alloying of γ′−Ni3Al : Effects on the ideal uniaxial compressive strength from first-principles calculations
inferredcites →https://doi.org/10.1103/physrevlett.101.055504openalex-snapshot
Universal Elastic Anisotropy Index
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1143/jpsj.20.635openalex-snapshot
On the Elastic Moduli of a Crystal and Voigt and Reuss Relations
inferredcites →https://doi.org/10.1179/1432891715z.0000000001566openalex-snapshot
Rotating bending fatigue behaviour of a Ni3Al-based single crystal alloy IC6SX at 760°C
inferredcites →https://doi.org/10.3390/ma10121419openalex-snapshot
Mechanical, Thermodynamic and Electronic Properties of Wurtzite and Zinc-Blende GaN Crystals
inferredcites →https://doi.org/10.3390/ma8052537openalex-snapshot
Applications of Ni3Al Based Intermetallic Alloys—Current Stage and Potential Perceptivities
inferredcites →https://doi.org/10.3390/met6040078openalex-snapshot
First-Principles Study of Chemical and Topological Short-Range Orders in the Mg–Si Liquid Alloys
inferredcites →https://doi.org/10.3390/met6070156openalex-snapshot
First-Principles Study on the Structural Stability and Segregation Behavior of γ-Fe/Cr2N Interface with Alloying Additives M (M = Mn, V, Ti, Mo, and Ni)
inferredcites →https://doi.org/10.3390/met7010021openalex-snapshot
Study of Adsorption of Hydrogen on Al, Cu, Mg, Ti Surfaces in Al Alloy Melt via First Principles Calculation
inferredcites →https://doi.org/10.3390/met7080317openalex-snapshot
First-Principles Investigation of Structural, Electronic and Elastic Properties of HfX (X = Os, Ir and Pt) Compounds

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inferred← citeshttps://doi.org/10.1016/j.mssp.2025.109837openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.mtcomm.2021.102864openalex-snapshot
Phase stability, mechanical, thermal, electronic properties, anisotropy, lattice dynamics and APB -energies of Ti2AlX intermetallics in α2, B2, and O phases: A first principle study
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.104668openalex-snapshot
Structural, vibrational, electronic, thermodynamic and thermoelectric properties of CaCdSi Half Heusler compound: A first-principles study
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.104816openalex-snapshot
Theoretical study on site preference of Mn in B-containing Ni3Al alloys and elastic properties
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.105217openalex-snapshot
First-principle investigation of the stability and mechanical properties of the binder phase B(B=Co and Ni) with the maximum solubility of the transition-group elements M(M=V, Ti, Ta, Mo, W and Cr)
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2025.112569openalex-snapshot
First-principles investigation of alloying element effects on mechanical properties and corrosion susceptibility of advanced high-strength steels
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2025.114565openalex-snapshot
Crystal plasticity modeling of local deformation behavior of Ni-based single-crystal superalloy turbine blade fir tree
inferred← citeshttps://doi.org/10.1016/j.nxmate.2026.102081openalex-snapshot
Integrated DFT and SCAPS-1D analysis of Tl2AgAsX6 (X = Cl, I) double perovskites for advanced energy-harvesting devices
inferred← citeshttps://doi.org/10.1016/j.optmat.2022.112930openalex-snapshot
Structural, mechanical, thermodynamic, electronic, magnetic and optical properties of ZnFe2O4 ferrite: A DFT study
inferred← citeshttps://doi.org/10.1016/j.physb.2022.414521openalex-snapshot
DFT insights into the origin of d0 ferromagnetism, mechanical stability, elastic, and acoustic anisotropy in AZrO3 (A= K, rb, Cs) cubic perovskites
inferred← citeshttps://doi.org/10.1016/j.physb.2024.416245openalex-snapshot
Influence of alkali metal cation modifications on physical characteristics of double perovskites Rb2XTlBr6 (X=Li, Na, K): First-principles study for solar energy and thermoelectric applications
inferred← citeshttps://doi.org/10.1016/j.physb.2025.416900openalex-snapshot
Enlightening the effect of hydrostatic pressure variation on physical properties of thermodynamically stable pyrochlore oxide La2Hf2O7 for photovoltaic advancement and low-cost energy applications: A first principles calculations
inferred← citeshttps://doi.org/10.1016/j.physb.2025.418158openalex-snapshot
A DFT-based study on the structural, electronic, mechanical, optoelectronic and photocatalytic potential of flexible double halide perovskites Q2CaGeI6 (Q = Rb, Cs)
inferred← citeshttps://doi.org/10.1016/j.physc.2024.1354515openalex-snapshot
Investigation of superconductivity of A15 type cubic Nb3Os material by using density functional theory
inferred← citeshttps://doi.org/10.1016/j.poly.2025.117388openalex-snapshot
Correlations in Cu-based chalcogenides for optical and transport performance in sustainable technologies: First-principles calculation
inferred← citeshttps://doi.org/10.1016/j.softx.2025.102231openalex-snapshot
DIC2Abaqus: Calculating mixed-mode stress intensity factors from 2D and 3D-stereo displacement fields
inferred← citeshttps://doi.org/10.1016/j.ssc.2023.115382openalex-snapshot
First principle insight on optoelectronic and transport characteristics of lead-free inorganic double perovskites Rb2KTlX6 (X = Cl, Br) for solar cell applications
inferred← citeshttps://doi.org/10.1016/j.ssc.2024.115448openalex-snapshot
Pressure-induced physical properties of KNbO3 using first-principles calculations for photocatalytic application
inferred← citeshttps://doi.org/10.1016/j.ssc.2024.115532openalex-snapshot
Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF3 (M = Ca, and Sr) halide perovskites
inferred← citeshttps://doi.org/10.1016/j.ssc.2026.116419openalex-snapshot
Ab initio calculations of electronic and mechanical properties of Mn-doped CsPbX3(X=Cl, Br, I) perovskites
inferred← citeshttps://doi.org/10.1016/j.vacuum.2026.115672openalex-snapshot
Tensile strain engineering of electronic and photocatalytic properties in Rb2SbAuF6 halide double perovskite: A density functional theory study
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c02861openalex-snapshot
Unveiling the Synergistic Mechanism of Hardness and Toughness Enhancement in HPHT-Synthesized WAlB
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c00489openalex-snapshot
Machine Learning-Directed Discovery of Ultrahigh Young’s Modulus Crystals
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c05263openalex-snapshot
Mechanical and Machining Properties of InP Wafers: A Combined Study via Theoretical Calculations, Molecular Dynamics Simulations, and Experimental Validation
inferred← citeshttps://doi.org/10.1021/acsaem.2c03374openalex-snapshot
Computational Exploration of Ultralow Lattice Thermal Conductivity and High Figure of Merit in p-Type Bulk RbX2Sb (X = K, Na)
inferred← citeshttps://doi.org/10.1021/acsomega.3c09292openalex-snapshot
Ab Initio Investigation of the Structural, Elastic, Dynamic, Electronic, and Magnetic Properties of Cubic Perovskite CeCrO3
inferred← citeshttps://doi.org/10.1038/s41598-021-92443-1openalex-snapshot
Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology
inferred← citeshttps://doi.org/10.1038/s41598-022-26250-7openalex-snapshot
First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites
inferred← citeshttps://doi.org/10.1038/s41598-023-42101-5openalex-snapshot
Ab initio study of mechanical and thermal properties of GeTe-based and PbSe-based high-entropy chalcogenides
inferred← citeshttps://doi.org/10.1038/s41598-025-99186-3openalex-snapshot
Elasticity and stability of GdAl2 under pressure and temperature investigated using DFT+AI
inferred← citeshttps://doi.org/10.1039/d1ra04571gopenalex-snapshot
Tuning the mechanical properties of functionally graded nickel and aluminium alloy at the nanoscale
inferred← citeshttps://doi.org/10.1063/5.0027684openalex-snapshot
Co-alloying effects on the site preference and the elastic properties of γ′-Ni3Al from first-principles calculations
inferred← citeshttps://doi.org/10.1063/5.0170742openalex-snapshot
Review: Structural, elastic, and thermodynamic properties of cubic and hexagonal Sc x Al1− x N crystals
inferred← citeshttps://doi.org/10.1088/1361-648x/ad05f9openalex-snapshot
Physical properties of Be-based fluoroperovskite compounds XBeF3 (X = K, Rb): a first-principles study
inferred← citeshttps://doi.org/10.1088/1402-4896/acd3c4openalex-snapshot
Structural, elastic, and thermodynamic properties of BaXCl3 (X = Li, Na) perovskites under pressure effect: ab initio exploration
inferred← citeshttps://doi.org/10.1088/1402-4896/ad418bopenalex-snapshot
Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl 3 (X = Be, Ca, or Sr) using DFT framework
inferred← citeshttps://doi.org/10.1088/1402-4896/ad729aopenalex-snapshot
Analyzing the physical properties of Half-Heusler RNiSb (R = Sc, Y) for optoelectronic and thermoelectric applications based on first-principles theories
inferred← citeshttps://doi.org/10.1088/1757-899x/838/1/012001openalex-snapshot
The influence of temperature on the mechanical properties of polycrystalline and single-crystalline Ni3Al
inferred← citeshttps://doi.org/10.1088/2399-6528/ac438copenalex-snapshot
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inferred← citeshttps://doi.org/10.1111/jace.18801openalex-snapshot
Effect of pressure on mechanical and optical properties of ThO 2 and PuO 2
inferred← citeshttps://doi.org/10.1134/s1063783425603133openalex-snapshot
First Principles Study of Structural, Electronic, Magnetic, and Elastic Properties of Ir2CrZ (Z = Ga,Ge)
inferred← citeshttps://doi.org/10.1134/s1067821226600213openalex-snapshot
Effect of Mo Doping Amount on the Mechanical Properties of Ni–Fe Alloy
inferred← citeshttps://doi.org/10.1140/epjb/s10051-022-00381-2openalex-snapshot
Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites
inferred← citeshttps://doi.org/10.1140/epjb/s10051-022-00444-4openalex-snapshot
Atomic simulation of effects of Ʃ5 grain boundary on mechanical properties of Ni3Al
inferred← citeshttps://doi.org/10.1142/s0217979219501893openalex-snapshot
IntermetallicMPt3(M= Ti, Zr, Hf): Elastic, electronic, optical and thermal properties
inferred← citeshttps://doi.org/10.1142/s0217979226501407openalex-snapshot
Perovskite hydrides XBeH 3 (X = Al, Ga, In) for solid-state hydrogen storage applications: First-principles insights into storage capacity, desorption temperature, mechanical, vibrational and optoelectronic characteristics
inferred← citeshttps://doi.org/10.1142/s021797922650219xopenalex-snapshot
Crystallographic orientation and hydrostatic pressure-dependent elastic and stacking-fault properties of γ-Ni/γ′-Ni 3 Al phase interfaces: A comparative first-principles investigation
inferred← citeshttps://doi.org/10.1155/amse/4039462openalex-snapshot
A First‐Principles Investigation of the Optoelectronic, Mechanical, and Thermoelectric Properties of the Narrow Band‐Gap Double Perovskite Ca 2 HfTiS 6 Compound
inferred← citeshttps://doi.org/10.15251/jor.2024.202.209openalex-snapshot
DFT study of mechanical, optoelectronic, and thermoelectric characteristics of double perovskites Li2CuTiZ6 (Z = Cl, Br, I) for energy harvesting technology
inferred← citeshttps://doi.org/10.15541/jim20200507openalex-snapshot
Anisotropic Calculation of Mechanical Property of GaAs Crystal
inferred← citeshttps://doi.org/10.1557/s43578-022-00603-4openalex-snapshot
Theoretical studies of the thermodynamic and mechanical properties of Mg–Pt system. An insight into phase equilibria
inferred← citeshttps://doi.org/10.1557/s43579-025-00706-zopenalex-snapshot
Magnesium alloys explored: Theoretical insights into the Ir–Mg alloy materials’ genome
inferred← citeshttps://doi.org/10.1615/nanoscitechnolintj.2023048416openalex-snapshot
INVESTIGATION OF THERMODYNAMIC PROPERTIES AND ANISOTROPIC FACTORS OF PERFECT AND DEFECTIVE TUNGSTEN THROUGH CORRELATION WITH ELASTIC CONSTANTS: A MOLECULAR DYNAMICS STUDY
inferred← citeshttps://doi.org/10.20998/2078-9130.2024.1.312052openalex-snapshot
Analysis of the features of the operating conditions of modern gas turbine blades and review of methods for determining their high-temperature strength parameters
inferred← citeshttps://doi.org/10.3389/fchem.2021.706736openalex-snapshot
Insight Into Disorder, Stress and Strain of Radiation Damaged Pyrochlores: A Possible Mechanism for the Appearance of Defect Fluorite
inferred← citeshttps://doi.org/10.3390/books978-3-03921-671-0openalex-snapshot
First-Principles Prediction of Structures and Properties in Crystals
inferred← citeshttps://doi.org/10.3390/cryst12081139openalex-snapshot
First-Principles Calculations of the Structural, Electronic, Optical, and Mechanical Properties of 21 Pyrophosphate Crystals
inferred← citeshttps://doi.org/10.3390/cryst14020149openalex-snapshot
Numerical Microstructure Prediction for Lattice Structures Manufactured by Electron Beam Powder Bed Fusion
inferred← citeshttps://doi.org/10.3390/cryst9020104openalex-snapshot
Insight into Physical and Thermodynamic Properties of X3Ir (X = Ti, V, Cr, Nb and Mo) Compounds Influenced by Refractory Elements: A First-Principles Calculation
inferred← citeshttps://doi.org/10.3390/ma12172765openalex-snapshot
Stress Concentration Induced by the Crystal Orientation in the Transient-Liquid-Phase Bonded Joint of Single-Crystalline Ni3Al
inferred← citeshttps://doi.org/10.3390/ma15030719openalex-snapshot
Corrosion Protection Oxide Scale Formed on Surface of Fe-Ni-M (M = Al, Cr, Cu) Inert Anode for Molten Salt Electrolysis
inferred← citeshttps://doi.org/10.3390/met12060959openalex-snapshot
First-Principles Study on the Elastic Mechanical Properties and Anisotropies of Gold–Copper Intermetallic Compounds
inferred← citeshttps://doi.org/10.3390/solids3010006openalex-snapshot
Structural and Energetic Aspects of Entacapone-Theophylline-Water Cocrystal
inferred← citeshttps://doi.org/10.34220/2311-8873-2020-3-3-4-15openalex-snapshot
THE STUDY OF THE INFLUENCE OF CHEMICAL DISORDER ON MECHANICAL PROPERTIES OF BINARY ALLOYS OF THE TYPE AND (A = Au; Ag) USING COMPUTER MODELING
inferred← citeshttps://doi.org/10.34220/pfmsit2022_17-26openalex-snapshot
THE STUDY OF EFFECT OF HIGH HYDROSTATIC PRESSURE ON THE MECHANICAL PROPERTIES OF AL-CU BINARY ALLOYSA
inferred← citeshttps://doi.org/10.35238/sufefd.994030openalex-snapshot
Structural and Elastic Properties of Pd2CrPb Heusler Compound
inferred← citeshttps://doi.org/10.4236/jmmce.2022.102017openalex-snapshot
Mechanical Properties, Metallurgical Characteristics and Anisotropy of Additive Manufacturing of 316L
inferred← citeshttps://doi.org/10.4236/ojm.2023.133004openalex-snapshot
Density Functional Study of Mechanical, Electronic and Pressure Induced Phase Transition Properties of CaFé2As2
inferred← citeshttps://doi.org/10.54287/gujsa.1009605openalex-snapshot
Rh2CoX (X=Al, Ga ve In) Bileşiklerinin Yapısal, Elastik, Elektronik ve Manyetik Özellikleri
inferred← citeshttps://doi.org/10.5488/cmp.24.13702openalex-snapshot
First principle study of structural, elastic, electronic and optical properties of Pb0.5Sn0.5TiO3 and Pb0.5Sn0.5Ti0.5(Zr0.5)O3
inferred← citeshttps://doi.org/10.5488/cmp.26.23701openalex-snapshot
Computational study of structural, elastic, electronic, phonon dispersion relation and thermodynamic properties of orthorhombic CaZrS3 for optoelectronic applications
inferred← citeshttps://doi.org/10.5488/cmp.29.33703openalex-snapshot
Computational investigation of a perovskite LaBiO3 for photovoltaic, thermoelectric, and optoelectronic applications
inferred← citeshttps://doi.org/10.56919/usci.2541.017openalex-snapshot
Theoretical Study of the Transport Properties of 〖Cs〗_2 NaBiX_6 [X=Br,I] Double Perovskite and its Stability for Thermoelectric Applications
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