WebAug 26, 2016 · Tin clathrate-II framework-substituted compositions are of current interest as potential thermoelectric materials for medium-temperature applications. A review of the literature reveals different compositions reported with varying physical properties, which depend strongly on the exact composition as well as the processing conditions. We … WebJulia tools for working with the Crystallographic Information Framework , including reading data files in Crystallographic Information Format (CIF) versions 1 and 2 (this …
GitHub - kmu/cif2cell: cif2cell compatible with Python 3+
WebApr 6, 2024 · The CSD is the principal repository for 3D crystal structures of organic and metal-organic compounds determined by X-ray and neutron diffraction. It's maintained by the Cambridge Crystallographic Data Centre and as of 2024 contained nearly 1.2 million entries. Structure data are drawn from the chemical literature and direct deposit. WebAug 7, 2024 · standard – the Crystallographic Information Framework – and its ontologies maintained by the IUCr are . essential for efficient data exchange (Hall and McMahon 201 6). The COD has maintained ... dundee assessor\\u0027s office
The Implementation and Evolution of STAR/CIF Ontologies ...
WebApr 12, 2024 · The less stability of (CHDA)PbI 4 can be ascribed to larger Pb–I–Pb bond angles than those of (CyDMA)PbI 4 in the inorganic framework, as shown in Figure S36 (see detailed crystallographic data in Table S9), which should result from worse co-adaptation of CHDA cations and [PbI 6] 4− octahedra induced by higher rigidity of CHDA … WebOct 27, 2014 · CIF stands for Crystallographic Information File and also Crystallographic Information Framework. The format is promoted and standardised by the International Union of Crystallography.See Documentation and Resources for Users and Developers of CIF Software.. The IUCr CheckCIF service can be used to check the integrity and … WebJan 12, 2016 · The crystallographic information framework (CIF) (Hall & McMahon 2005) protocol, which is a subset of the STAR File syntax , will be used throughout as an exemplar, and details of the CIF data management approach, which has been over twenty years in the making, are given. In particular the paper will describe a general approach to … dundee arnold clark