{"id":"https://openalex.org/W4282940887","doi":"https://doi.org/10.1021/acs.inorgchem.2c01002","title":"Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means","display_name":"Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means","publication_year":2022,"publication_date":"2022-06-06","ids":{"openalex":"https://openalex.org/W4282940887","doi":"https://doi.org/10.1021/acs.inorgchem.2c01002","pmid":"https://pubmed.ncbi.nlm.nih.gov/35667003"},"language":"en","primary_location":{"id":"doi:10.1021/acs.inorgchem.2c01002","doi":"https://doi.org/10.1021/acs.inorgchem.2c01002","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.inorgchem.2c01002","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5068945029","display_name":"Fabian C. Gladisch","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Fabian C. Gladisch","raw_affiliation_strings":["Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany","institution_ids":["https://openalex.org/I887968799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113985950","display_name":"Thomas Pippinger","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Thomas Pippinger","raw_affiliation_strings":["STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jens Meyer","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jens Meyer","raw_affiliation_strings":["STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066696064","display_name":"Julian Pries","orcid":"https://orcid.org/0000-0002-5978-8213","observed_orcids":["https://orcid.org/0000-0002-5978-8213"]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Julian Pries","raw_affiliation_strings":["Institute of Physics (IA), Physics of Novel Materials, RWTH Aachen University, D-52056 Aachen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Physics (IA), Physics of Novel Materials, RWTH Aachen University, D-52056 Aachen, Germany","institution_ids":["https://openalex.org/I887968799"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jens Richter","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jens Richter","raw_affiliation_strings":["STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"STOE & Cie GmbH, Hilpertstra\u00dfe 10, D-64295 Darmstadt, Germany","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022367601","display_name":"Simon Steinberg","orcid":"https://orcid.org/0000-0001-8022-7018","observed_orcids":["https://orcid.org/0000-0001-8022-7018"]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Simon Steinberg","raw_affiliation_strings":["Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany"],"raw_orcid":"https://orcid.org/0000-0001-8022-7018","affiliations":[{"raw_affiliation_string":"Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany","institution_ids":["https://openalex.org/I887968799"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5022367601"],"corresponding_institution_ids":["https://openalex.org/I887968799"],"apc_list":{"value":5000,"currency":"USD","value_usd":5000},"apc_paid":null,"fwci":0.724,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.59692653,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":97},"biblio":{"volume":"61","issue":"24","first_page":"9269","last_page":"9282"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.48750001192092896,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.48750001192092896,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.46779999136924744,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.005900000222027302,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/structural-phase-transition","display_name":"structural phase transition","score":0.7089999914169312},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.6890000104904175},{"id":"https://openalex.org/keywords/vibration-characteristics","display_name":"vibration characteristics","score":0.9679999947547913},{"id":"https://openalex.org/keywords/high-temperature-solid-state-synthesis","display_name":"high-temperature solid-state synthesis","score":0.7870000004768372},{"id":"https://openalex.org/keywords/thermoelectric-materials","display_name":"thermoelectric materials","score":0.8389999866485596},{"id":"https://openalex.org/keywords/chalcogenides","display_name":"chalcogenides","score":0.6159999966621399}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7275561690330505},{"id":"https://openalex.org/C2778397788","wikidata":"https://www.wikidata.org/wiki/Q417116","display_name":"Telluride","level":2,"score":0.5910701155662537},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.5441436171531677},{"id":"https://openalex.org/C2992650653","wikidata":"https://www.wikidata.org/wiki/Q971776","display_name":"Structural chemistry","level":2,"score":0.5324692726135254},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.5274365544319153},{"id":"https://openalex.org/C160464908","wikidata":"https://www.wikidata.org/wiki/Q26185","display_name":"Quaternary","level":2,"score":0.5004281997680664},{"id":"https://openalex.org/C207365445","wikidata":"https://www.wikidata.org/wiki/Q15020929","display_name":"Thermoelectric materials","level":3,"score":0.4318614602088928},{"id":"https://openalex.org/C2778256315","wikidata":"https://www.wikidata.org/wiki/Q7301171","display_name":"Real structure","level":2,"score":0.42180299758911133},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4063207805156708},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3090062141418457},{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.2941656708717346},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2856188416481018},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.15035781264305115},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.14235243201255798},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09379062056541443},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07774803042411804},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.inorgchem.2c01002","doi":"https://doi.org/10.1021/acs.inorgchem.2c01002","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.inorgchem.2c01002","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","raw_type":"journal-article"},{"id":"pmid:35667003","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35667003","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic chemistry","raw_type":"Journal Article"},{"id":"pmh:oai:publications.rwth-aachen.de:849391","doi":null,"is_oa":false,"landing_page_url":"https://publications.rwth-aachen.de/record/849391","pdf_url":null,"source":{"id":"https://openalex.org/S4306401362","display_name":"RWTH Publications (RWTH Aachen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I887968799","host_organization_name":"RWTH Aachen University","host_organization_lineage":["https://openalex.org/I887968799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Inorganic chemistry 61(24), 9269-9282 (2022). doi:10.1021/acs.inorgchem.2c01002","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4928488920","display_name":null,"funder_award_id":"SFB-917","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"}],"funders":[{"id":"https://openalex.org/F4320309608","display_name":"Verband der Chemischen Industrie","ror":"https://ror.org/00kvk1853"},{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":109,"referenced_works":["https://openalex.org/W5472119","https://openalex.org/W74420698","https://openalex.org/W85709498","https://openalex.org/W1502456662","https://openalex.org/W1876309074","https://openalex.org/W1905702311","https://openalex.org/W1921899003","https://openalex.org/W1962164726","https://openalex.org/W1963692514","https://openalex.org/W1964690210","https://openalex.org/W1965088969","https://openalex.org/W1965272987","https://openalex.org/W1968763431","https://openalex.org/W1969360633","https://openalex.org/W1969477139","https://openalex.org/W1969884593","https://openalex.org/W1970127494","https://openalex.org/W1977124996","https://openalex.org/W1978088777","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1982133696","https://openalex.org/W1988762313","https://openalex.org/W1991432121","https://openalex.org/W1998224076","https://openalex.org/W1998981899","https://openalex.org/W2007395042","https://openalex.org/W2009804238","https://openalex.org/W2013854646","https://openalex.org/W2014046355","https://openalex.org/W2016587795","https://openalex.org/W2022305795","https://openalex.org/W2028864443","https://openalex.org/W2030236030","https://openalex.org/W2041383172","https://openalex.org/W2041775420","https://openalex.org/W2042246569","https://openalex.org/W2042862454","https://openalex.org/W2045422482","https://openalex.org/W2045756291","https://openalex.org/W2050030213","https://openalex.org/W2058918539","https://openalex.org/W2065886063","https://openalex.org/W2068705163","https://openalex.org/W2079105963","https://openalex.org/W2083222334","https://openalex.org/W2088043604","https://openalex.org/W2097816853","https://openalex.org/W2097832646","https://openalex.org/W2102074887","https://openalex.org/W2108167034","https://openalex.org/W2121237359","https://openalex.org/W2127134962","https://openalex.org/W2131350133","https://openalex.org/W2142333037","https://openalex.org/W2145538332","https://openalex.org/W2148596493","https://openalex.org/W2152457228","https://openalex.org/W2164690779","https://openalex.org/W2211255256","https://openalex.org/W2263443092","https://openalex.org/W2282942319","https://openalex.org/W2322232911","https://openalex.org/W2413275333","https://openalex.org/W2499303338","https://openalex.org/W2531837814","https://openalex.org/W2581463612","https://openalex.org/W2591932046","https://openalex.org/W2614217779","https://openalex.org/W2618018261","https://openalex.org/W2621193951","https://openalex.org/W2706559730","https://openalex.org/W2742245680","https://openalex.org/W2746282346","https://openalex.org/W2773188215","https://openalex.org/W2776561478","https://openalex.org/W2781454873","https://openalex.org/W2789475330","https://openalex.org/W2791504595","https://openalex.org/W2803958875","https://openalex.org/W2892791460","https://openalex.org/W2902350857","https://openalex.org/W2920919496","https://openalex.org/W2947123932","https://openalex.org/W2949772662","https://openalex.org/W2952164345","https://openalex.org/W2952300046","https://openalex.org/W2952303720","https://openalex.org/W2953212783","https://openalex.org/W2967460749","https://openalex.org/W2971450376","https://openalex.org/W2973592970","https://openalex.org/W2996502873","https://openalex.org/W3009287851","https://openalex.org/W3014267345","https://openalex.org/W3023916004","https://openalex.org/W3092439597","https://openalex.org/W3092729800","https://openalex.org/W3096568399","https://openalex.org/W3107457112","https://openalex.org/W3114240263","https://openalex.org/W3172152040","https://openalex.org/W3192454176","https://openalex.org/W3200142348","https://openalex.org/W3204273595","https://openalex.org/W3209281548","https://openalex.org/W4248546452","https://openalex.org/W4249145893","https://openalex.org/W6638221667"],"related_works":["https://openalex.org/W1963692514","https://openalex.org/W6925300529","https://openalex.org/W3200142348","https://openalex.org/W2034255255","https://openalex.org/W2582065367","https://openalex.org/W1996899701","https://openalex.org/W2154088310","https://openalex.org/W4308648261","https://openalex.org/W4413911858","https://openalex.org/W2950433575"],"abstract_inverted_index":{"In":[0,103,274],"the":[1,6,10,26,29,76,86,92,113,140,144,184,193,197,231,235,250,253,262,266,319],"quest":[2],"for":[3,17,196,318],"materials":[4,69],"addressing":[5],"grand":[7],"challenges":[8],"of":[9,21,28,32,78,88,118,135,146,150,169,199,219,234,252,268,271,283],"future,":[11],"there":[12],"is":[13],"a":[14,18,33,147,216,280],"critical":[15],"need":[16],"broad":[19],"understanding":[20,230],"their":[22],"electronic":[23,30,114],"structures":[24,178],"because":[25],"knowledge":[27],"structure":[31,131,159],"given":[34,148],"solid":[35],"allows":[36],"us":[37],"to":[38,44,84,91,111],"recognize":[39],"its":[40,46],"structural":[41,232,263,281],"preferences":[42],"and":[43,63,115,213,265,296],"rationalize":[45],"properties.":[47],"As":[48],"previous":[49],"research":[50],"on":[51],"quaternary":[52,201,272],"chalcogenides":[53],"containing":[54],"active":[55],"metals":[56],"(a":[57],"group-I-":[58],"or":[59],"-II-element),":[60],"early":[61],"transition-metals,":[62],"late":[64],"transition-metals":[65],"indicated":[66,138],"that":[67,139,142,164,203,286],"such":[68],"could":[70,179],"pose":[71],"as":[72],"alluring":[73],"systems":[74],"in":[75,249],"developments":[77],"thermoelectrics,":[79],"our":[80],"impetus":[81],"was":[82],"stimulated":[83],"probe":[85,188],"suitability":[87],"tellurides":[89],"belonging":[90],"prolific":[93],"A":[94,123,151,170,220,236],"3":[95,124,152,171,206,221,237,289,298],"R":[96,125,153,172,222,238,299],"4":[97,126,154,173,208,223,239,291,300],"Cu":[98,127,155,174,209,224,240,292,301],"5":[99,128,156,175,210,225,241,293,302],"Te":[100,129,157,176,211,226,242,294,303],"10":[101,130,158,177,227,243,295,304],"-family.":[102],"doing":[104],"so,":[105],"we":[106,191,256,277],"first":[107,321],"used":[108],"quantum-chemical":[109],"techniques":[110],"explore":[112],"vibrational":[116],"properties":[117],"representatives":[119],"crystallizing":[120],"with":[121],"different":[122,167],"types.":[132],"The":[133],"outcome":[134],"these":[136],"explorations":[137],"aspects":[141],"control":[143],"formation":[145],"type":[149,218],"are":[160],"rather":[161],"subtle":[162],"so":[163],"transitions":[165],"between":[166],"types":[168],"be":[180],"induced":[181],"by":[182],"manipulating":[183],"ambient":[185],"conditions.":[186],"To":[187],"this":[189,269,275],"prediction,":[190],"explored":[192],"thermal":[194],"behavior":[195],"example":[198],"one":[200],"telluride,":[202],"is,":[204,287],"Rb":[205,297],"Er":[207],"10,":[212],"thereby":[214],"identified":[215],"new":[217],"structure.":[228],"Because":[229],"features":[233,264],"family":[244],"plays":[245],"an":[246,259],"important":[247],"role":[248],"analyses":[251],"aforementioned":[254],"explorations,":[255],"also":[257,278],"present":[258],"overview":[260],"about":[261],"members":[267],"class":[270],"tellurides.":[273],"connection,":[276],"provide":[279],"report":[282],"four":[284],"tellurides,":[285],"K":[288],"Tb":[290],"(R":[305],"=":[306],"Tb,":[307],"Dy,":[308],"Ho),":[309],"which":[310],"have":[311],"been":[312],"obtained":[313],"from":[314],"high-temperature":[315],"solid-state":[316],"reactions":[317],"very":[320],"time.":[322]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2}],"updated_date":"2026-10-14T16:39:01.820549","created_date":"2022-06-16T00:00:00"}