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Papers citing Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS

  1. Ordenamento e propriedades dielétricas em microondas dos sistemas (Ba1-xSrx)3CaNb2O9 e (Ba1-yLay)3Ca1+yNb2-yO9

    Venue not supplied by source · 2017

    João Elias F. S. Rodrigues

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  2. Pressure-dependent structural, elastic, electronic and vibrational studies of Ba2InMO6 (M = Ta, Nb) from first principles

    Computational Materials Science · 2017

    Shaobo Zhang, Liwei Shi

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  3. Structural, magnetic and electrical properties of a new double-perovskite LaNaMnMoO 6 material

    Royal Society Open Science · 2017

    Sameh Megdiche Borchani, W. Cheikh‐Rouhou, Makrem Megdiche

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  4. Solution-Processed Nb-Substituted BaBiO3 Double Perovskite Thin Films for Photoelectrochemical Water Reduction

    Chemistry of Materials · 2018

    Jie Ge, Wan‐Jian Yin, Yanfa Yan

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  5. Complementary evaluation of structure stability of perovskite oxides using bond-valence and density-functional-theory calculations

    Science and Technology of Advanced Materials · 2018

    Ikuya Yamada, Akihiko Takamatsu, Hidekazu Ikeno

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  6. The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites LaABB′O6 (A = Ca, Sr; B = Co, Ni; B′ = Ru, Os)

    Inorganic Chemistry · 2018

    Ryan C. Morrow, Michael A. McGuire, Jiaqiang Yan, Patrick M. Woodward

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  7. Theory of order–disorder phase transitions of B-cations in AB′1/2 B′′1/2O3 perovskites

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2018

    V. P. Sakhnenko, Nikita V. Ter-Oganessian

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  8. Electron−hole separation in ferroelectric oxides for efficient photovoltaic responses

    Proceedings of the National Academy of Sciences · 2018

    Donghoon Kim, Hyeon Han, Jun Ho Lee, Jin Woo Choi, Jeffrey C. Grossman, Hyun Myung Jang, Dong-Hun Kim

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  9. Promising electronic structure of double perovskite Sr2TiMoO6: Spin-polarized DFT+U approach

    IOP Conference Series Materials Science and Engineering · 2018

    Yang Hui, Qiang Fan

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  10. Octahedral distortion-driven electrical and vibrational properties of A2ErTaO6 (A=Sr and Ca) double perovskite oxides

    Journal of Advanced Dielectrics · 2018

    Rajesh Mukherjee, Alo Dutta, T. P. Sinha

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  11. Negative and positive thermal expansion-like volume changes due to intermetallic charge transfer based on an ionic crystal model of transition-metal oxides

    APL Materials · 2018

    Yuichi Shimakawa, Michael W. Lufaso, Patrick M. Woodward

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  12. Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics

    Energy & Environmental Science · 2018

    Wan‐Jian Yin, Baicheng Weng, Jie Ge, Qingde Sun, Zhenzhu Li, Yanfa Yan

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  13. Temperature-dependent structural and magnetic properties of R2MMnO6 double perovskites (R = Dy, Gd; M = Ni, Co)

    Journal of Materials Science Materials in Electronics · 2018

    С. А. Иванов, Mikael Svante Andersson, J. Cedervall, Erik Lewin, Martin Sahlberg, Gennady V. Bazuev, П. Нордблад, R. Mathieu

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  14. Dynamic Ferrimagnetic Order in a Highly Distorted Double Perovskite Y2CoRuO6

    Chemistry of Materials · 2018

    Zheng Deng, M. Retuerto, Sizhan Liu, Mark Croft, Peter W. Stephens, Stuart Calder, Wenmin Li, Bijuan Chen, Changqing Jin, Zhiwei Hu, Man‐Rong Li, Hong‐Ji Lin, Ting‐Shan Chan, Chien‐Te Chen, Sun Woo Kim, M. Greenblatt

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  15. Structural, magnetic, dielectric and optical properties of the Eu2Bi2Fe4O12 bismuth-based low-temperature biferroic

    Journal of Materials Science Materials in Electronics · 2018

    J.A. Cuervo Farfán, Carlos Arturo Parra Vargas, D. S. F. Viana, Flávio Paulo Milton, Ducinei Garcia, David Arsenio Landínez Téllez, Jairo Roa-Rojas

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  16. Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba 2 InTaO 6

    RSC Advances · 2019

    Sajad Ahmad Dar, Ramesh Sharma, Vipul Srivastava, Umesh Kumar Sakalle

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  17. Synthesis of SrCoO3 perovskite as W-based double perovskite and its structural properties

    Journal of Materials Science Materials in Electronics · 2019

    Muthu Dhilip, M. Manikandan, Sundaramurthy Rameshkumar, V. Jayalakshmi, V. Anbarasu, K. Saravana Kumar

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  18. Learning-in-Templates Enables Accelerated Discovery and Synthesis of New Stable Double Perovskites

    Journal of the American Chemical Society · 2019

    Mikhail Askerka, Ziliang Li, Mathieu Lempen, Yanan Liu, Andrew K. Johnston, Makhsud I. Saidaminov, Zoltán Zajacz, Edward Hartley Sargent

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  19. Effect of pressure on electronic, magnetic, thermodynamic, and thermoelectric properties of tantalum‐based double perovskites Ba 2 MTaO 6 (M = Mn, Cr)

    International Journal of Energy Research · 2019

    Muskan Nabi, Tahir Mohiuddin Bhat, Dinesh C. Gupta

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  20. Conventional synthesis and characterization of cubically ordered La2FeMnO6 double perovskite compound

    Vacuum · 2019

    Muthu Dhilip, N. Aparna Devi, J. Stella Punitha, V. Anbarasu, K. Saravana Kumar

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  21. Influence of Cation Order and Valence States on Magnetic Ordering in La2Ni1−xMn1+xO6

    physica status solidi (b) · 2019

    Mohammad Nasir, Mahmud Khan, Subhash Bhatt, Anup Kumar Bera, Mohammad Furquan, Sunil Kumar, Sk. Mohammad Yusuf, Nirmalendu Patra, Dibyendu Bhattacharya, S. N. Jha, Shun‐Wei Liu, Sajal Biring, Somaditya Sen

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  22. KBaTeBiO6: A Lead-Free, Inorganic Double-Perovskite Semiconductor for Photovoltaic Applications

    Chemistry of Materials · 2019

    Arashdeep Singh Thind, Shalinee Kavadiya, Mojgan Kouhnavard, Robin Wheelus, Sung Beom Cho, Liang-Yi Lin, Clayton Thomas Kacica, Hemant Kumar Mulmudi, Kinga A. Unocic, Albina Y. Borisevich, Ghanshyam Pilania, Pratim Biswas, Rohan Mishra

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  23. Correlative models for perovskites with rock salt B‐site ordering

    Journal of the American Ceramic Society · 2019

    Evan Smith, Claire L Adams, Rick Ubic

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  24. A brief review on the effect of preparation conditions on magnetic properties of some A2MMnO6 (A = La, Eu and Y; M = Mg, Co, Ni) type perovskites

    Journal of Chemical Sciences · 2019

    Srungarpu Nagabhusan Achary, Vasundhara Katari, Farheen Nasir Sayed, A. K. Tyagi

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  25. Comparison of the crystal chemistry of tellurium (VI), molybdenum (VI), and tungsten (VI) in double perovskite oxides and related materials

    Progress in Solid State Chemistry · 2019

    Ashley V. Flores, Austyn E. Krueger, Amanda J. Stiner, Hailey M. Albert, Travis Mansur, Victoria Willis, Chanel C. Lee, Luis J. Garay, Loi T. Nguyen, Matthew A. Frank, Paris W. Barnes, Allyson M. Fry‐Petit

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  26. Expanding the Doubly Cation Ordered AA′BB′O6 Perovskite Family: Structural Complexity in NaLaInNbO6 and NaLaInTaO6

    Inorganic Chemistry · 2019

    Graham King, Susana García‐Martín

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  27. Quantifying Jahn-Teller distortion at the nanoscale with picometer accuracy using position averaged convergent beam electron diffraction

    Physical Review Research · 2019

    Binbin Wang, Bryan David Esser, Núria Bagués, Robert E.A. Williams, Jiaqiang Yan, David W. McComb

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  28. Searching for stable perovskite solar cell materials using materials genome techniques and high-throughput calculations

    Journal of Materials Chemistry C · 2020

    Qingde Sun, Wan‐Jian Yin, Su‐Huai Wei

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  29. Preparation and photoluminescence properties of a novel white-light-emitting Dy3+-doped Ba2ScMO6 (M = Nb, Ta) phosphors

    Optik · 2020

    Yetong Jia, Denghui Xu, Jun Zhou, Chao Nan Wei, Jiayue Sun

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  30. Structural distortions in rare-earth transition-metal oxide perovskites under high pressure

    Physical review. B./Physical review. B · 2020

    Jianshi Zhou

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  31. Ruddlesden–Popper Perovskite Oxides for Photocatalysis-Based Water Splitting and Wastewater Treatment

    Energy & Fuels · 2020

    Hongbo Xiao, Pengyun Liu, Wei Zhou, Ran Ran, Wei Zhou, Zongping Shao

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  32. Perspective on the pressure-driven evolution of the lattice and electronic structure in perovskite and double perovskite

    Applied Physics Letters · 2020

    Nana Li, Qian Zhang, Yonggang Wang, Wenge Yang

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  33. Crystal and Electronic Structures of A 2 NaIO 6 Periodate Double Perovskites (A = Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization

    Inorganic Chemistry · 2020

    Sarah E. O’Sullivan, Eduardo Montoya, Shi‐Kuan Sun, Jonathan George, Cameron Kirk, Malin C. Dixon Wilkins, Philippe F. Weck, Eunja Kim, Kevin S. Knight, Neil Christian Hyatt

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  34. Aspectos estructurales y propiedades magnéticas de la Ferrobismutita de Disprosio Dy2Bi2Fe4O12

    Venue not supplied by source · 2021

    Nieto Camacho, Johann Andrés

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  35. Investigation into Cation-Ordered Magnetic Polar Double Perovskite Oxides

    Chemistry of Materials · 2021

    Monirul Shaikh, Aafreen Fathima, M. J. Swamynadhan, Hena Das, Saurabh Ghosh

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  36. Dielectric Relaxation and Magnetic Structure of A-Site-Ordered Perovskite Oxide Semiconductor CaCu3Fe2Ta2O12

    Inorganic Chemistry · 2021

    Jianming Deng, Feifei Han, Björn C. Schwarz, Michael Knapp, Helmut Ehrenberg, Weibo Hua, Manuel Hinterstein, Guobao Li, Yun Hua He, Jie Wang, Yuan Yuan, Laijun Liu

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  37. Relationship between A-site cation and magnetic structure in 3d−5d−4f double perovskite iridates Ln2NiIrO6 ( Ln=La , Pr, Nd)

    Physical Review Materials · 2021

    Timothy Ferreira, Stuart Calder, David Parker, Mary H. Upton, Athena S. Sefat, Hans‐Conrad zur Loye

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  38. Crystal structures of four inclusion compounds of 4,4’-dihydroxy diphenyl sulfide and tetraalkylammonium

    Molecular Crystals and Liquid Crystals · 2021

    Min Xu, Yun-Xia Yang, Yingwa Guo, Xiaona Ma

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  39. Producción y propiedades físicas de nuevas perovskitas complejas del tipo RAMOX (R=La, Nd, Sm, Eu; A=Sr, Bi; M= Ti, Mn, Fe)

    Venue not supplied by source · 2021

    Cuervo Farfán, Javier Alonso

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  40. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I)

    Journal of Physics and Chemistry of Solids · 2021

    Muhammad Saeed, Izaz Ul Haq, Awais Siddique Saleemi, Shafiq Ur Rehman, Bakhtiar Ul Haq, Aijaz Rasool Chaudhry, Imad Khan

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  41. Density Functional Theory Study on the Thermo-elastic and Magneto-electronic Properties of Double Perovskite Oxides Sr2MNbO6 (M = V, Cr)

    Journal of Superconductivity and Novel Magnetism · 2021

    Atika Guendouz, Bouhalouane Amrani, Nour Eddine Hakiki, Kouider Driss-Khodja

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  42. Large bandgap and optical response of $d^0$ double perovskite Ba$_2$ScTaO$_6$.

    arXiv (Cornell University) · 2021

    Ajay K. Himanshu, Sujit Kumar, Urmimala Dey, Rajyavardhan Ray

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  43. A novel double perovskite oxide Sm2CoFeO6 phosphor for orange LEDs: structural, magnetic and luminescence properties

    Applied Physics A · 2022

    Muthu Dhilip, J. Stella Punitha, R. Rameshkumar, Sundaramurthy Rameshkumar, P. Karuppasamy, Muthu Senthil Pandian, P. Ramasamy, K. Saravana Kumar, V. Anbarasu, K. Elangovan

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  44. Multiple low-energy excitons and optical response of d0 double perovskite Ba 2 ScTaO 6

    Physica B Condensed Matter · 2022

    Ajay K. Himanshu, Sujit Kumar, Urmimala Dey, Rajyavardhan Ray

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  45. Prediction of Space Groups for Perovskite-Like $${\text{A}}_{{\text{2}}}^{{{\text{II}}}}$$BIIIB'VO6 Compounds

    Inorganic Materials Applied Research · 2022

    N. N. Kiselyova, Victor A. Dudarev, A. V. Stolyarenko, A. A. Dokukin, Oleg Valentinovich Sen'ko, V. V. Ryazanov, M. A. Vitushko, Pereverzev-Orlov Vs, E. A. Vaschenko

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  46. Template-free hydrothermal synthesis of lithium iron tavorite with complex morphologies driven by phase transformation

    Nano-Structures & Nano-Objects · 2022

    Stanislav Ferdov, Renato Gonçalves, Arkaitz Fidalgo-Marijuán, Carlos M. Costa, Senentxu Lanceros-Méndez

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  47. Physical characteristics of X2NaMoBr6 (X= K, Rb): A DFT study

    Materials Science in Semiconductor Processing · 2022

    Nasarullah, Muhammad Shahzad Yaseen, Shatha A. Aldaghfag, Muhammad Zahid, Misbah Misbah

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  48. The Development of New Perovskite-Type Oxygen Transport Membranes Using Machine Learning

    Crystals · 2022

    Hartmut Schlenz, Stefan Baumann, Wilhelm Albert Meulenberg, Olivier Guillon

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  49. Violation of the rule of parsimony: Mixed local moment and itinerant Fe magnetism in Fe3GeN

    Physical review. B./Physical review. B · 2022

    Mari Tsumuraya, David Joseph Singh

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  50. Insights into Cation Ordering of Double Perovskite Oxides from Machine Learning and Causal Relations

    Chemistry of Materials · 2022

    Ayana Ghosh, Palanichamy Gayathri, Dennis Trujillo, Monirul Shaikh, Saurabh Ghosh

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