Publications

Xinyi He, Shigeru Kimura, Takayoshi Katase, Terumasa Tadano, Satoru Matsuishi, Makoto Minohara, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, Toshio Kamiya (2023). Inverse-Perovskite Ba$_3$BO (B = Si and Ge) as a High Performance Environmentally Benign Thermoelectric Material with Low Lattice Thermal Conductivity. Adv. Sci..

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Yusuke Kozuka, Taisuke T Sasaki, Terumasa Tadano, Jun Fujioka (2023). Epitaxy and transport properties of alkali-earth palladate thin films. Sci. Technol. Adv. Mater..

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Terumasa Tadano (2023). 非調和フォノン理論が拓く有限温度物性の第一原理計算. Butsuri.

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Ivan Kurniawan, Yoshio Miura, Guangzong Xing, Terumasa Tadano, Kazuhiro Hono (2023). Theoretical study of the effect of lattice dynamics on the damping constant of FePt at finite temperature. Phys. Rev. B.

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Guangzong Xing, Keisuke Masuda, Terumasa Tadano, Yoshio Miura (2023). Chemical Doping-Driven Giant Anomalous Hall and Nernst Conductivity in Magnetic Cubic Heusler Compounds.

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Masao Morishita, Taichi Abe, Tadakatsu Ohkubo, Terumasa Tadano, Hiroaki Yamamoto, Ai Nozaki, Hikaru Miyazaki (2023). Magnetic characterization of Sm(Fe1-x, Cox)11Ti (x = 0, 0.1) determined by heat-capacity measurement from very low to high temperatures. Thermochim. Acta.

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Ryota Masuki, Takuya Nomoto, Ryotaro Arita, Terumasa Tadano (2023). 非調和フォノン理論に基づいた有限温度における結晶構造の第一原理計算. Kotai Butsuri.

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Kouta Kazama, Masato Sakano, Kohei Yamagami, Takuo Ohkochi, Kyoko Ishizaka, Terumasa Tadano, Yusuke Kozuka, Hidetoshi Yoshizawa, Yoshihiro Tsujimoto, Kazunari Yamaura, Jun Fujioka (2023). Charge transport and thermopower in the electron-doped narrow gap semiconductor Ca$_{1-x}$La$_x$Pd$_3$O$_4$. Phys. Rev. Mater..

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Guangzong Xing, Yoshio Miura, Terumasa Tadano (2023). First-principles prediction of phase transition of YCo$_5$ from self-consistent phonon calculations. Phys. Rev. B.

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Erik Fransson, Petter Rosander, Fredrik Eriksson, J Magnus Rahm, Terumasa Tadano, Paul Erhart (2023). Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites. Commun. Phys..

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Dhruba B Khadka, Yasuhiro Shirai, Masatoshi Yanagida, Terumasa Tadano, Kenjiro Miyano (2023). Alleviating Defect and Oxidation in Tin Perovskite Solar Cells Using a Bidentate Ligand. Chem. Mater..

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Atsushi Togo, Laurent Chaput, Terumasa Tadano, Isao Tanaka (2023). Implementation strategies in phonopy and phono3py. J. Phys. Condens. Matter.

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Chen Shen, Mian Dai, Xingxing Xiao, Niloofar Hadaeghi, Wenjie Xie, Anke Weidenkaff, Terumasa Tadano, Hongbin Zhang (2023). Impact of quartic anharmonicity on lattice thermal transport in EuTiO$_3$: A comparative theoretical and experimental investigation. Materials Today Physics.

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Xinyi He, Seiya Nomoto, Takehito Komatsu, Takayoshi Katase, Terumasa Tadano, Suguru Kitani, Hideto Yoshida, Takafumi Yamamoto, Hiroshi Mizoguchi, Keisuke Ide, Hidenori Hiramatsu, Hitoshi Kawaji, Hideo Hosono, Toshio Kamiya (2023). Hydride anion substitution boosts thermoelectric performance of polycrystalline SrTiO $_3$ via simultaneous realization of reduced thermal conductivity and high electronic conductivity. Adv. Funct. Mater..

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Ryota Masuki, Takuya Nomoto, Ryotaro Arita, Terumasa Tadano (2023). Full optimization of quasiharmonic free energy with an anharmonic lattice model: Application to thermal expansion and pyroelectricity of wurtzite GaN and ZnO. Phys. Rev. B Condens. Matter.

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Zhongxu Hu, Mari Hiramatsu, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya (2023). Reversible Thermal Conductivity Modulation of Non-equilibrium (Sn$_{1-x}$Pb$_x$)S by 2D--3D Structural Phase Transition above Room Temperature. ACS Appl. Energy Mater..

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Tomohito Amano, Tamio Yamazaki, Ryosuke Akashi, Terumasa Tadano, Shinji Tsuneyuki (2023). Lattice dielectric properties of rutile TiO$_2$: First-principles anharmonic self-consistent phonon study. Phys. Rev. B Condens. Matter.

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Ryota Masuki, Takuya Nomoto, Ryotaro Arita, Terumasa Tadano (2022). Ab initio structural optimization at finite temperatures based on anharmonic phonon theory: Application to the structural phase transitions of BaTiO$_3$. Phys. Rev. B Condens. Matter.

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M Basini, M Pancaldi, B Wehinger, M Udina, Terumasa Tadano, M C Hoffmann, A v Balatsky, S Bonetti (2022). Terahertz electric-field driven dynamical multiferroicity in SrTiO$_3$.

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Dhruba B Khadka, Yasuhiro Shirai, Masatoshi Yanagida, Terumasa Tadano, Kenjiro Miyano (2022). Interfacial embedding for high‐efficiency and stable methylammonium‐free perovskite solar cells with fluoroarene hydrazine. Adv. Energy Mater..

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Terumasa Tadano, Wissam a Saidi (2022). First-Principles Phonon Quasiparticle Theory Applied to a Strongly Anharmonic Halide Perovskite. Phys. Rev. Lett..

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Kenichi Cho, Hirokazu Tahara, Takumi Yamada, Hidekatsu Suzuura, Terumasa Tadano, Ryota Sato, Masaki Saruyama, Hideki Hirori, Toshiharu Teranishi, Yoshihiko Kanemitsu (2022). Exciton-Phonon and Trion-Phonon Couplings Revealed by Photoluminescence Spectroscopy of Single CsPbBr3 Perovskite Nanocrystals. Nano Lett..

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Yusaku Nishimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Suguru Kitani, Kota Hanzawa, Shigenori Ueda, Hidenori Hiramatsu, Hitoshi Kawaji, Hideo Hosono, Toshio Kamiya (2022). Electronic and lattice thermal conductivity switching by 3D−2D crystal structure transition in nonequilibrium (Pb$_{1−x}$Sn$_x$)Se. Adv. Electron. Mater..

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Atsushi Togo, Hiroyuki Hayashi, Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka (2022). LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations. J. Phys. Condens. Matter.

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Masato Ohnishi, Terumasa Tadano, Shinji Tsuneyuki, Junichiro Shiomi (2022). Anharmonic phonon renormalization and thermal transport in the type-I Ba$_8$Ga$_{16}$Sn$_{30}$ clathrate from first principles. Phys. Rev. B Condens. Matter.

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Motoaki Hirayama, Michael Thobias Schmid, Terumasa Tadano, Takahiro Misawa, Masatoshi Imada (2022). $Ab$ $initio$ material design of Ag-based oxides for high-$T_c$ superconductor.

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Xinyi He, Haoyun Zhang, Takumi Nose, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya (2022). Degenerated Hole Doping and Ultra-Low Lattice Thermal Conductivity in Polycrystalline SnSe by Nonequilibrium Isovalent Te Substitution. Adv. Sci..

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Guangzong Xing, Yoshio Miura, Terumasa Tadano (2022). Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles. Phys. Rev. B Condens. Matter.

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Ryota Masuki, Takuya Nomoto, Ryotaro Arita, Terumasa Tadano (2022). Anharmonic Grüneisen theory based on self-consistent phonon theory: Impact of phonon-phonon interactions neglected in the quasiharmonic theory. Phys. Rev. B Condens. Matter.

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Pol Torres, Stephen Wu, Shenghong Ju, Chang Liu, Terumasa Tadano, Ryo Yoshida, Junichiro Shiomi (2022). Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach. J. Phys. Condens. Matter.

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Takayoshi Katase, Xinyi He, Terumasa Tadano, Jan M Tomczak, Takaki Onozato, Keisuke Ide, Bin Feng, Tetsuya Tohei, Hidenori Hiramatsu, Hiromichi Ohta, Yuichi Ikuhara, Hideo Hosono, Toshio Kamiya (2021). Breaking of Thermopower-Conductivity Trade-Off in LaTiO$_3$ Film around Mott Insulator to Metal Transition. Adv. Sci..

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Masatoshi Kimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Jan M Tomczak, Makoto Minohara, Ryotaro Aso, Hideto Yoshida, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, Toshio Kamiya (2021). Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO$_3$/LaNiO$_3$/LaAlO$_3$ heterostructure. Nano Lett..

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Keisuke Masuda, Terumasa Tadano, Yoshio Miura (2021). Crucial role of interfacial $s−d$ exchange interaction in the temperature dependence of tunnel magnetoresistance. Phys. Rev. B Condens. Matter.

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Kunie Ishioka, Terumasa Tadano, Masatoshi Yanagida, Yasuhiro Shirai, Kenjiro Miyano (2021). Anharmonic organic cation vibrations in the hybrid lead halide perovskite CH$_3$NH$_3$PbI$_3$. Phys. Rev. Mater..

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Kenichi Cho, Takumi Yamada, Hirokazu Tahara, Terumasa Tadano, Hidekatsu Suzuura, Masaki Saruyama, Ryota Sato, Toshiharu Teranishi, Yoshihiko Kanemitsu (2021). Luminescence fine structures in single lead Halide perovskite nanocrystals: Size dependence of the exciton--phonon coupling. Nano Lett..

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Guangzong Xing, Takahiro Ishikawa, Yoshio Miura, Takashi Miyake, Terumasa Tadano (2021). Lattice dynamics effects on finite-temperature stability of $R_{1−x}$Fe$_x$ ($R$ = Y, Ce, Nd, Sm, and Dy) alloys from first principles. J. Alloys Compd..

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Maxime Charlebois, Jean-Baptiste Morée, Kazuma Nakamura, Yusuke Nomura, Terumasa Tadano, Yoshihide Yoshimoto, Youhei Yamaji, Takumi Hasegawa, Kazuyuki Matsuhira, Masatoshi Imada (2021). Ab initio derivation of low-energy Hamiltonians for systems with strong spin-orbit interaction: Application to Ca5Ir3O12. Phys. Rev. B Condens. Matter.

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Shenghong Ju, Ryo Yoshida, Chang Liu, Stephen Wu, Kenta Hongo, Terumasa Tadano, Junichiro Shiomi (2021). Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning. Phys. Rev. Mater..

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Takahiro Ishikawa, Taro Fukazawa, Guangzong Xing, Terumasa Tadano, Takashi Miyake (2021). Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system. Phys. Rev. Mater..

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Kazuma Nakamura, Yoshihide Yoshimoto, Yusuke Nomura, Terumasa Tadano, Mitsuaki Kawamura, Taichi Kosugi, Kazuyoshi Yoshimi, Takahiro Misawa, Yuichi Motoyama (2021). RESPACK: An ab initio tool for derivation of effective low-energy model of material. Comput. Phys. Commun..

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Takayoshi Katase, Yudai Takahashi, Xinyi He, Terumasa Tadano, Keisuke Ide, Hideto Yoshida, Shiro Kawachi, Jun-Ichi Yamaura, Masato Sasase, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya (2021). Reversible 3D-2D structural phase transition and giant electronic modulation in nonequilibrium alloy semiconductor, lead-tin-selenide. Sci Adv.

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Shoya Kawano, Terumasa Tadano, Satoshi Iikubo (2021). Effect of Halogen Ions on the Low Thermal Conductivity of Cesium Halide Perovskite. J. Phys. Chem. C.

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Yusuke Nomura, Motoaki Hirayama, Motoharu Kitatani, Terumasa Tadano, Ryotaro Arita (2020). ニッケル酸化物新超伝導体の発見：現状と展望. Kotai Butsuri.

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Terumasa Tadano, Takashi Koretsune, Ryotaro Arita (2020). 原子核の量子ゆらぎが支える高圧下LaH$_{10}$の高温超伝導. 固体物理.

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Zezhu Zeng, Shasha Li, Terumasa Tadano, Yue Chen (2020). Anharmonic lattice dynamics and thermal transport of monolayer InSe under equibiaxial tensile strains. J. Phys. Condens. Matter.

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Takuya Tanimoto, Koichiro Suekuni, Taiki Tanishita, Hidetomo Usui, Terumasa Tadano, Taiga Kamei, Hikaru Saito, Hirotaka Nishiate, Chul Ho Lee, Kazuhiko Kuroki, Michitaka Ohtaki (2020). Enargite Cu$_3$PS$_4$ : A Cu--S‐based thermoelectric material with a wurtzite‐derivative structure. Adv. Funct. Mater..

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Yu-Ning Wu, Wissam a Saidi, Jeffrey K Wuenschell, Terumasa Tadano, Paul Ohodnicki, Benjamin Chorpening, Yuhua Duan (2020). Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO$_3$. J. Phys. Chem. Lett..

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Terumasa Tadano (2020). 非調和効果を取り込める新しいフォノン計算ツールの開発. シミュレーション.

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Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsune, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri, José a Flores-Livas (2020). Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride. Nature.

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Motoaki Hirayama, Terumasa Tadano, Yusuke Nomura, Ryotaro Arita (2020). Materials design of dynamically stable $d^9$ layered nickelates. Phys. Rev. B Condens. Matter.

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Terumasa Tadano (2020). 非調和フォノン物性の第一原理計算. 応用物理.

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Yusuke Nomura, Motoaki Hirayama, Terumasa Tadano, Yoshihide Yoshimoto, Kazuma Nakamura, Ryotaro Arita (2019). Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2. Phys. Rev. B Condens. Matter.

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Yusuke Oba, Terumasa Tadano, Ryosuke Akashi, Shinji Tsuneyuki (2019). First-principles study of phonon anharmonicity and negative thermal expansion in ScF$_3$. Phys. Rev. Mater..

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Terumasa Tadano, Yusuke Nomura, Masatoshi Imada (2019). $\textit{Ab initio}$ derivation of effective Hamiltonian for La$_2$CuO$_4$/La$_{1.55}$Sr$_{0.45}$CuO$_4$ heterostructure.

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Terumasa Tadano (2019). First-principles calculation of thermophysical properties of solids with strong phonon anharmonicity.

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Terumasa Tadano, Shinji Tsuneyuki (2019). Ab initio prediction of structural phase-transition temperature of SrTiO$_3$ from finite-temperature phonon calculation. J. Ceram. Soc. Jpn..

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Terumasa Tadano, Shinji Tsuneyuki (2018). First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals. J. Phys. Soc. Jpn..

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Terumasa Tadano, Shinji Tsuneyuki (2018). Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles. Phys. Rev. Lett..

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Payam Norouzzadeh, Jerzy S Krasinski, Terumasa Tadano (2017). Thermal conductivity of type-I, type-II, and type-VIII pristine silicon clathrates: A first-principles study. Phys. Rev. B Condens. Matter.

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Terumasa Tadano, Shinji Tsuneyuki (2017). 第一原理からの非調和フォノンと格子熱伝導. 固体物理.

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Andrew Rohskopf, Hamid R Seyf, Kiarash Gordiz, Terumasa Tadano, Asegun Henry (2017). Empirical interatomic potentials optimized for phonon properties. npj Computational Materials.

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Wataru Sano, Takashi Koretsune, Terumasa Tadano, Ryosuke Akashi, Ryotaro Arita (2016). Effect of Van Hove singularities on high-Tc superconductivity in H3S. Phys. Rev. B Condens. Matter.

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Terumasa Tadano, Shinji Tsuneyuki (2015). Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO$_3$ with first-principles anharmonic force constants. Phys. Rev. B Condens. Matter.

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Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki (2015). Impact of rattlers on thermal conductivity of a thermoelectric clathrate: a first-principles study. Phys. Rev. Lett..

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Terumasa Tadano, Shinji Tsuneyuki (2015). First-principles analysis of anharmonic nuclear motion and thermal transport in thermoelectric materials. AIP Publishing LLC.

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Terumasa Tadano, Y Gohda, S Tsuneyuki (2014). Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations. J. Phys. Condens. Matter.

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