{"id":942,"date":"2021-09-16T20:15:28","date_gmt":"2021-09-16T12:15:28","guid":{"rendered":"http:\/\/polyhedra.cn\/zh\/?p=942"},"modified":"2023-09-10T20:18:13","modified_gmt":"2023-09-10T12:18:13","slug":"tolerance-factor-and-phase-stability-of-the-garnet-structure","status":"publish","type":"post","link":"http:\/\/ustb.cc\/zh\/tolerance-factor-and-phase-stability-of-the-garnet-structure\/","title":{"rendered":"Tolerance factor and phase stability of the garnet structure"},"content":{"rendered":"\n<p><strong><mark style=\"background-color:rgba(0, 0, 0, 0)\" class=\"has-inline-color has-vivid-cyan-blue-color\"><em>Acta Cryst.<\/em>,<\/mark> 2019. C75, 1353-1358.<\/strong> <a href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?qp3034\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?qp3034<\/a><\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/scripts.iucr.org\/cgi-bin\/sendimage?image=\/c\/issues\/2019\/10\/00\/qp3034\/qp3034thumbnail.gif\" alt=\"\" style=\"width:255px;height:148px\" width=\"255\" height=\"148\"\/><\/figure>\n<\/div>\n\n\n<p>We introduce a structural descriptor, the tolerance factor, for the prediction and systematic description of the phase stability with the garnet structure. Like the tolerance factor widely adopted for the perovskite structure, it is a com\u00adpositional parameter derived from the geometrical relationship between multi-type polyhedra in the garnet structure, and the calculation only needs the information of the ionic radius. A survey of the tolerance factor over 130 garnet-type com\u00adpounds reveals that the data points are scattered in a narrow range. The tolerance factor is helpful in understanding the crystal chemistry of some garnet-type com\u00adpounds and could serve as a guide for predicting the stability of the garnet phase. The correlation between the tolerance factor and the garnet-phase stability could be utilized by machine learning or high-throughput screening methods in material design and discovery.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Acta Cryst., 2019. C75, 1353-1358. https:\/\/scripts.iucr [&hellip;]<\/p>\n","protected":false},"author":4,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[26,1],"tags":[58],"class_list":["post-942","post","type-post","status-publish","format-standard","hentry","category-lab_papers_2019","category-uncategorized","tag-58"],"_links":{"self":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/942","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/users\/4"}],"replies":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/comments?post=942"}],"version-history":[{"count":4,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/942\/revisions"}],"predecessor-version":[{"id":2508,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/942\/revisions\/2508"}],"wp:attachment":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/media?parent=942"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/categories?post=942"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/tags?post=942"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}