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RESEARCH PAPER · Physical Review B · 2015

Emergence of a few distinct structures from a single formal structure type during high-throughput screening for stable compounds: The case of RbCuS and RbCuSe

Giancarlo Trimarchi, Xiuwen Zhang, Michael J. DeVries Vermeer, Jacqueline Cantwell, Kenneth Reinhard Poeppelmeier, Alex Zunger

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10 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

Emergence of a few distinct structures from a single formal structure type during high-throughput screening for stable compounds: The case of RbCuS and RbCuSeOriginalNatural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures85Combined Computational and in Situ Experimental Search for Phases in an Open Ternary system, Ba–Ru–S9Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3−xQx (M=Nb, Ta; Q=S, Se, Te)22Approaches to design inorganic semiconductors while maintaining structural motifs2Crystal structure prediction in the context of inverse materials design5Theoretical design of multifunctional half-Heusler materials based on first-principles calculations7Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials49Amorphous Catalysis: Machine Learning Driven High-Throughput Screening of Superior Active Site for Hydrogen Evolution Reaction65Ferri-chiral compounds with potentially switchable Dresselhaus spin splitting11High-throughput crystal structure solution using prototypes44

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  1. Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures

    Physical review. B./Physical review. B · 2017-02-03

    Yonggang G. Yu, Xiuwen Zhang, Alex Zunger

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  2. Combined Computational and in Situ Experimental Search for Phases in an Open Ternary system, Ba–Ru–S

    Chemistry of Materials · 2017-06-27

    Ankita Bhutani, Joshua A. Schiller, Julia L. Zuo, J. N. Eckstein, L. H. Greene, Santanu Chaudhuri, Daniel P. Shoemaker

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  3. Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3−xQx (M=Nb, Ta; Q=S, Se, Te)

    ChemPhysChem · 2017-11-16

    Heesoo Park, Fahhad H. Alharbi, Stefano Sanvito, Nouar Tabet, Fedwa El‐Mellouhi

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  4. Approaches to design inorganic semiconductors while maintaining structural motifs

    Journal of Semiconductors · 2018-07-01

    Xiuwen Zhang, Jian‐Bai Xia

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  5. Crystal structure prediction in the context of inverse materials design

    Journal of Semiconductors · 2018-07-01

    Giancarlo Trimarchi

    Read original paper ↗ ·

  6. Theoretical design of multifunctional half-Heusler materials based on first-principles calculations

    Chinese Physics B · 2018-12-01

    Xiuwen Zhang

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  7. Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials

    Materials Horizons · 2020-01-01

    Prashun Gorai, Alex M. Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanović

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  8. Amorphous Catalysis: Machine Learning Driven High-Throughput Screening of Superior Active Site for Hydrogen Evolution Reaction

    The Journal of Physical Chemistry C · 2020-04-22

    Jiawei Zhang, P. Hu, Haifeng Wang

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  9. Ferri-chiral compounds with potentially switchable Dresselhaus spin splitting

    Physical review. B./Physical review. B · 2020-12-14

    Pu Huang, Zhiguo Xia, Xiaoqing Gao, James M. Rondinelli, Xiuwen Zhang, Han Zhang, Kenneth Reinhard Poeppelmeier, Alex Zunger

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  10. High-throughput crystal structure solution using prototypes

    Physical Review Materials · 2021-10-25

    Sean D. Griesemer, Logan T. Ward, Chris M. Wolverton

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