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Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry

Nature communications, 2021-09, Vol.12 (1), p.5561-5561, Article 5561

2021

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Mixed-Metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis Acid Catalysis and Tandem CC Bond Formation and Alcohol Oxidation

Chemistry : a European journal, 2014-12, Vol.20 (51), p.17185-17197

2014

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Polymorph of LiAlP2O7: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study

Inorganic chemistry, 2021-09, Vol.60 (18), p.14083-14095

2021

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Structural Disorder in (Bi, M)2(Fe, Mn, Bi)2O6+x (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering

Journal of physical chemistry. C, 2017-08, Vol.121 (33), p.18120-18128

2017

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Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch

Science (American Association for the Advancement of Science), 2021-08, Vol.373 (6558), p.1017-1022

2021

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High-performance protonic ceramic fuel cell cathode using protophilic mixed ion and electron conducting material

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-02, Vol.10 (5), p.2559-2566

2022

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Toward Understanding of the Li-Ion Migration Pathways in the Lithium Aluminum Sulfides Li 3 AlS 3 and Li 4.3 AlS 3.3 Cl 0.7 via 6,7 Li Solid-State Nuclear Magnetic Resonance Spectroscopy

Chemistry of materials, 2023-01, Vol.35 (1), p.27-40

2023

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A CO2‐Tolerant Perovskite Oxide with High Oxide Ion and Electronic Conductivity

Advanced materials (Weinheim), 2020-01, Vol.32 (4), p.e1905200-n/a

2020

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High‐Throughput Discovery of a Rhombohedral Twelve‐Connected Zirconium‐Based Metal‐Organic Framework with Ordered Terephthalate and Fumarate Linkers

Angewandte Chemie (International ed.), 2021-12, Vol.60 (52), p.26939-26946

International ed. in English, 2021

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Toward Understanding of the Li-Ion Migration Pathways in the Lithium Aluminum Sulfides Li3AlS3 and Li4.3AlS3.3Cl0.7 via 6,7Li Solid-State Nuclear Magnetic Resonance Spectroscopy

Chemistry of materials, 2023-01, Vol.35 (1), p.27-40

2023

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Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li7Si2–xGexS7I

Angewandte Chemie International Edition, 2024-06, p.e202409372

2024

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Control of Polarity in Kagome‐NiAs Bismuthides

Angewandte Chemie International Edition, 2024-06, Vol.63 (23), p.e202403670-n/a

International ed. in English, 2024

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Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking

Chemistry of materials, 2021-03, Vol.33 (6), p.2206-2217

2021

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Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li–Al–S Phase Field: Structure and Lithium Conductivity

Chemistry of materials, 2019-12, Vol.31 (23), p.9699-9714

2019

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Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning

Angewandte Chemie (International ed.), 2021-07, Vol.60 (30), p.16457-16465

International ed. in English, 2021

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Synthesis, Structure, and Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity

Chemistry of materials, 2024-05, Vol.36 (9), p.4530-4541

2024

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Synthesis, Structure, and Properties of CuBiSeCl 2 : A Chalcohalide Material with Low Thermal Conductivity

Chemistry of materials, 2024-05, Vol.36 (9), p.4530-4541

2024

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Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li6+xP1-xSixO5Cl

Journal of the American Chemical Society, 2022-12, Vol.144 (48), p.22178-22192

2022

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Li4.3AlS3.3Cl0.7: A Sulfide–Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity

Chemistry of materials, 2021-11, Vol.33 (22), p.8733-8744

2021

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Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li7Zn0.5SiS6

Chemistry of materials, 2022-05, Vol.34 (9), p.4073-4087

2022

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Superionic lithium transport via multiple coordination environments defined by two-anion packing

Science (American Association for the Advancement of Science), 2024-02, Vol.383 (6684), p.739-745

2024

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A high throughput synthetic workflow for solid state synthesis of oxides

Chemical science (Cambridge), 2024-02, Vol.15 (7), p.264-2647

2024

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Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li 6+ x P 1- x Si x O 5 Cl

Journal of the American Chemical Society, 2022-12, Vol.144 (48), p.22178-22192

2022

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Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li 7 Zn 0.5 SiS 6

Chemistry of materials, 2022-05, Vol.34 (9), p.4073-4087

2022

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Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry

Mixed-Metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis Acid Catalysis and Tandem CC Bond Formation and Alcohol Oxidation

Polymorph of LiAlP2O7: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study

A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning

Structural Disorder in (Bi, M)2(Fe, Mn, Bi)2O6+x (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering

Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch

High-performance protonic ceramic fuel cell cathode using protophilic mixed ion and electron conducting material

Toward Understanding of the Li-Ion Migration Pathways in the Lithium Aluminum Sulfides Li 3 AlS 3 and Li 4.3 AlS 3.3 Cl 0.7 via 6,7 Li Solid-State Nuclear Magnetic Resonance Spectroscopy

A CO2‐Tolerant Perovskite Oxide with High Oxide Ion and Electronic Conductivity

High‐Throughput Discovery of a Rhombohedral Twelve‐Connected Zirconium‐Based Metal‐Organic Framework with Ordered Terephthalate and Fumarate Linkers

Toward Understanding of the Li-Ion Migration Pathways in the Lithium Aluminum Sulfides Li3AlS3 and Li4.3AlS3.3Cl0.7 via 6,7Li Solid-State Nuclear Magnetic Resonance Spectroscopy

Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li7Si2–xGexS7I

Control of Polarity in Kagome‐NiAs Bismuthides

Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking

Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li–Al–S Phase Field: Structure and Lithium Conductivity

Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning

Synthesis, Structure, and Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity

Synthesis, Structure, and Properties of CuBiSeCl 2 : A Chalcohalide Material with Low Thermal Conductivity

Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li6+xP1-xSixO5Cl

Li4.3AlS3.3Cl0.7: A Sulfide–Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity

Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li7Zn0.5SiS6

Superionic lithium transport via multiple coordination environments defined by two-anion packing

A high throughput synthetic workflow for solid state synthesis of oxides

Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li 6+ x P 1- x Si x O 5 Cl

Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li 7 Zn 0.5 SiS 6

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