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RESEARCH PAPER · Dalton Transactions · 2023

From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargement

Yi Huang, Dongdong Chu, Yihan Yun, Wenlong Xie, Guangmao Li, Yong an Zhang

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From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargementOriginalBa 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units8MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra2Na 6 Mg 3 P 4 S 16 and RbMg 2 PS 4 Cl 2 : two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS 6 ] and [MgS x Cl 6− x ] octahedra4Chalcophosphates: A plentiful source of infrared nonlinear optical materials42Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials6Optimal three-dimensional [Ag 4 P 2 S 6 ]-framework assembly directed by a threefold roto-inversion axis for enhanced birefringence0Achieving High‐Birefringence Thiophosphates From Low Polarizability Anisotropy Units by an Axial Linear Matching Strategy1

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  1. Ba 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Linan Wang, Hongshan Wang, Ling Luo, Junjie Li, Feng Yu

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  2. MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Xin Su, Ling Luo, Junjie Li, Feng Yu

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  3. Na 6 Mg 3 P 4 S 16 and RbMg 2 PS 4 Cl 2 : two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS 6 ] and [MgS x Cl 6− x ] octahedra

    Dalton Transactions · 2023-12-05

    Yi Chu Huang, Dongdong Chu, Xueling Hou, Guangmao Li, Yong an Zhang

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  4. Chalcophosphates: A plentiful source of infrared nonlinear optical materials

    Coordination Chemistry Reviews · 2025-02-26

    Yingying Kong, Guansong Zheng, Yi Du, Junjie Li, Shilie Pan

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  5. Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

    Advanced Intelligent Discovery · 2025-07-09

    Konstantin S. Jakob, Karsten Reuter, Johannes T. Margraf

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  6. Optimal three-dimensional [Ag 4 P 2 S 6 ]-framework assembly directed by a threefold roto-inversion axis for enhanced birefringence

    Inorganic Chemistry Frontiers · 2026-01-01

    MF Zhang, C Hu, Jiang‐Gao Mao

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  7. Achieving High‐Birefringence Thiophosphates From Low Polarizability Anisotropy Units by an Axial Linear Matching Strategy

    Advanced Optical Materials · 2026-05-18

    Ming‐Zhi Zhang, C Hu, Yi‐Wen Shan, Jiang‐Gao Mao

    Read original paper ↗ ·
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