Crystal engineering in IUCrJ: from `the' crystal structure to `a' crystal structure [PDF]
IUCrJ, 2021 What is 'structure' in the context of a molecular solid?
Gautam R. Desiraju
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Pathological crystal structures [PDF]
Acta Crystallographica Section C Structural Chemistry, 2023 Recent decades have seen enormous changes in the technology of crystal structure analysis, but the interpretation of these data still depends on human judgment, and errors are far from uncommon. Although analysing the crystallographic results with available software tools can catch many types of errors, others can be detected only by combining ...
Raymond, Kenneth, Girolami, Gregory
openaire +3 more sources
Crystal Structure Prediction by Joint Equivariant Diffusion [PDF]
Neural Information Processing Systems, 2023 Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g.
Rui Jiao +6 more
semanticscholar +1 more source
Wumuite (KAl0.33W2.67O9) – a new mineral with an HTB-type structure from the Panzhihua–Xichang region in China [PDF]
European Journal of Mineralogy, 2020 Wumuite, ideally KAl0.33W2.67O9, is a new mineral species found in the Neoproterozoic Sinian light-weathered biotite–quartz monzonite in the southern part of the Panzhihua–Xichang region (Nanyang village: 26∘46′8.21′′ N, 101∘27′13.86′′ E ...
Y. Xue, Y. Xue, G. Li, Y. Xie
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Crystal structure generation with autoregressive large language modeling [PDF]
Nature Communications, 2023 The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition.
Luis M. Antunes +2 more
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Journal of Materiomics, 2023 Guided-wave-based structural health monitoring (SHM) technology is of great importance for real-time inspection of high-temperature structures. The fundamental shear horizontal (SH0) wave is believed to be an ideal wave mode for developing SHM systems ...
Yuehao Du +4 more
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Carbon Nanotubes Blended Nematic Liquid Crystal for Display and Electro-Optical Applications
Electronic Materials, 2021 In this paper, we investigate a commercial nematic liquid crystal (LC) mixture namely E7 dispersed with small concentrations of multi-walled carbon nanotubes (MWCNTs).
Bhupendra Pratap Singh +5 more
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Generative Adversarial Networks for Crystal Structure Prediction [PDF]
ACS Central Science, 2020 The constant demand for novel functional materials calls for efficient strategies to accelerate the materials discovery, and crystal structure prediction is one of the most fundamental tasks along that direction.
Sungwon Kim +4 more
semanticscholar +1 more source
Phonon and crystal field excitations in geometrically frustrated rare earth titanates [PDF]
, 2008 The phonon and crystal field excitations in several rare earth titanate pyrochlores are investigated. Magnetic measurements on single crystals of Gd2Ti2O7, Tb2Ti2O7, Dy2Ti2O7 and Ho2Ti2O7 are used for characterization, while Raman spectroscopy and ...
Berthet, P. +7 more
core +14 more sources
Liguowuite, WO3, a new member of the A-site vacant perovskite type minerals from the Panzhihua–Xichang region, China [PDF]
European Journal of Mineralogy, 2022 A new member of the non-stoichiometric perovskite group mineral species, liguowuite, ideally WO3, has been found in the Neoproterozoic Sinian biotite-quartz monzonite in the southern part of the Panzhihua–Xichang region (Nanyang village: 26∘46′8.21′′ N ...
Y. Xue +7 more
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