{"id":"https://openalex.org/W2040988697","doi":"https://doi.org/10.1111/jace.12987","title":"Crystal Structure and Elastic Properties of Hypothesized MAX Phase\u2010Like Compound ( Cr 2 Hf ) 2 Al 3 C 3","display_name":"Crystal Structure and Elastic Properties of Hypothesized MAX Phase\u2010Like Compound ( Cr 2 Hf ) 2 Al 3 C 3","publication_year":2014,"publication_date":"2014-06-03","ids":{"openalex":"https://openalex.org/W2040988697","doi":"https://doi.org/10.1111/jace.12987","mag":"2040988697"},"language":"en","primary_location":{"id":"doi:10.1111/jace.12987","doi":"https://doi.org/10.1111/jace.12987","is_oa":false,"landing_page_url":"https://doi.org/10.1111/jace.12987","pdf_url":null,"source":{"id":"https://openalex.org/S53162366","display_name":"Journal of the American Ceramic Society","issn_l":"0002-7820","issn":["0002-7820","1551-2916"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Ceramic Society","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/1306.3540","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Yuxiang Mo","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I75421653","display_name":"University of Missouri\u2013Kansas City","ror":"https://ror.org/01w0d5g70","country_code":"US","type":"education","lineage":["https://openalex.org/I75421653"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Yuxiang Mo","raw_affiliation_strings":["Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110","institution_ids":["https://openalex.org/I75421653"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111703745","display_name":"Sitaram Aryal","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I75421653","display_name":"University of Missouri\u2013Kansas City","ror":"https://ror.org/01w0d5g70","country_code":"US","type":"education","lineage":["https://openalex.org/I75421653"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sitaram Aryal","raw_affiliation_strings":["Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110","institution_ids":["https://openalex.org/I75421653"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089317757","display_name":"Paul Rulis","orcid":"https://orcid.org/0000-0001-5783-0206","observed_orcids":["https://orcid.org/0000-0001-5783-0206"]},"institutions":[{"id":"https://openalex.org/I75421653","display_name":"University of Missouri\u2013Kansas City","ror":"https://ror.org/01w0d5g70","country_code":"US","type":"education","lineage":["https://openalex.org/I75421653"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Paul Rulis","raw_affiliation_strings":["Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110","institution_ids":["https://openalex.org/I75421653"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005385426","display_name":"W. Y. Ching","orcid":"https://orcid.org/0000-0001-7738-8822","observed_orcids":["https://orcid.org/0000-0001-7738-8822"]},"institutions":[{"id":"https://openalex.org/I75421653","display_name":"University of Missouri\u2013Kansas City","ror":"https://ror.org/01w0d5g70","country_code":"US","type":"education","lineage":["https://openalex.org/I75421653"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wai\u2010Yim Ching","raw_affiliation_strings":["Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110","institution_ids":["https://openalex.org/I75421653"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I75421653"],"apc_list":{"value":4070,"currency":"USD","value_usd":4070},"apc_paid":null,"fwci":0.5385,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.59586572,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"97","issue":"8","first_page":"2646","last_page":"2653"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12046","display_name":"MXene and MAX Phase Materials","score":1.0,"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/T12046","display_name":"MXene and MAX Phase Materials","score":1.0,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.0,"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/T11100","display_name":"Intermetallics and Advanced Alloy Properties","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/max-phases","display_name":"MAX phases","score":0.8629999756813049},{"id":"https://openalex.org/keywords/transition-metal-carbides","display_name":"transition metal carbides","score":0.7829999923706055},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.8629999756813049},{"id":"https://openalex.org/keywords/elastic-properties","display_name":"elastic properties","score":0.8679999709129333},{"id":"https://openalex.org/keywords/monoclinic-p2-1-m","display_name":"monoclinic P2_1/m","score":0.753000020980835},{"id":"https://openalex.org/keywords/lattice-parameters","display_name":"lattice parameters","score":0.7509999871253967},{"id":"https://openalex.org/keywords/formation-energy","display_name":"formation energy","score":0.6269999742507935},{"id":"https://openalex.org/keywords/solid-solutions","display_name":"solid solutions","score":0.8820000290870667},{"id":"https://openalex.org/keywords/elastic-modulus","display_name":"elastic modulus","score":0.9070000052452087},{"id":"https://openalex.org/keywords/polycrystal-plasticity","display_name":"polycrystal plasticity","score":0.6039999723434448}],"concepts":[{"id":"https://openalex.org/C61276311","wikidata":"https://www.wikidata.org/wiki/Q624543","display_name":"Monoclinic crystal system","level":3,"score":0.6752150058746338},{"id":"https://openalex.org/C64452783","wikidata":"https://www.wikidata.org/wiki/Q1524945","display_name":"Ternary operation","level":2,"score":0.621584415435791},{"id":"https://openalex.org/C46275449","wikidata":"https://www.wikidata.org/wiki/Q2458815","display_name":"Crystallinity","level":2,"score":0.6082853078842163},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5826258063316345},{"id":"https://openalex.org/C2776106465","wikidata":"https://www.wikidata.org/wiki/Q6714626","display_name":"MAX phases","level":3,"score":0.5493214130401611},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5319792628288269},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5227877497673035},{"id":"https://openalex.org/C194760766","wikidata":"https://www.wikidata.org/wiki/Q410851","display_name":"Nitride","level":3,"score":0.4809507727622986},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.47546643018722534},{"id":"https://openalex.org/C131468747","wikidata":"https://www.wikidata.org/wiki/Q685892","display_name":"Lattice energy","level":3,"score":0.45451802015304565},{"id":"https://openalex.org/C43486711","wikidata":"https://www.wikidata.org/wiki/Q192005","display_name":"Elastic modulus","level":2,"score":0.4268462359905243},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3152962625026703},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.20612937211990356},{"id":"https://openalex.org/C5335593","wikidata":"https://www.wikidata.org/wiki/Q241906","display_name":"Carbide","level":2,"score":0.1978113353252411},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.11066922545433044},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1111/jace.12987","doi":"https://doi.org/10.1111/jace.12987","is_oa":false,"landing_page_url":"https://doi.org/10.1111/jace.12987","pdf_url":null,"source":{"id":"https://openalex.org/S53162366","display_name":"Journal of the American Ceramic Society","issn_l":"0002-7820","issn":["0002-7820","1551-2916"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Ceramic Society","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:1306.3540","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1306.3540","pdf_url":"https://arxiv.org/pdf/1306.3540","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.1306.3540","doi":"https://doi.org/10.48550/arxiv.1306.3540","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.1306.3540","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:1306.3540","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1306.3540","pdf_url":"https://arxiv.org/pdf/1306.3540","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1643223109","display_name":null,"funder_award_id":"AC03-76SF00098","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G193590374","display_name":null,"funder_award_id":"DEAC03-76SF00098","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2787076192","display_name":null,"funder_award_id":"DEAC03-76SF00098","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G849638054","display_name":null,"funder_award_id":"DE-FE0005865","funder_id":"https://openalex.org/F4320333450","funder_display_name":"National Energy Technology Laboratory"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320333450","display_name":"National Energy Technology Laboratory","ror":"https://ror.org/01x26mz03"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2040988697.pdf","grobid_xml":"https://content.openalex.org/works/W2040988697.grobid-xml"},"referenced_works_count":71,"referenced_works":["https://openalex.org/W34239523","https://openalex.org/W47989867","https://openalex.org/W940744573","https://openalex.org/W1535149128","https://openalex.org/W1566693097","https://openalex.org/W1622233162","https://openalex.org/W1638841203","https://openalex.org/W1643099005","https://openalex.org/W1669901560","https://openalex.org/W1971649721","https://openalex.org/W1973306171","https://openalex.org/W1973734408","https://openalex.org/W1975229624","https://openalex.org/W1975321284","https://openalex.org/W1984003326","https://openalex.org/W1988033070","https://openalex.org/W1989554193","https://openalex.org/W2005707177","https://openalex.org/W2006750730","https://openalex.org/W2007395042","https://openalex.org/W2009422260","https://openalex.org/W2010517414","https://openalex.org/W2014451195","https://openalex.org/W2019868511","https://openalex.org/W2027050410","https://openalex.org/W2033039910","https://openalex.org/W2034695774","https://openalex.org/W2037047961","https://openalex.org/W2039022952","https://openalex.org/W2045858922","https://openalex.org/W2051633272","https://openalex.org/W2052910633","https://openalex.org/W2054121315","https://openalex.org/W2058231323","https://openalex.org/W2060720091","https://openalex.org/W2064404462","https://openalex.org/W2073854878","https://openalex.org/W2078587431","https://openalex.org/W2078841293","https://openalex.org/W2079105963","https://openalex.org/W2083222334","https://openalex.org/W2088161392","https://openalex.org/W2088895293","https://openalex.org/W2089715066","https://openalex.org/W2093618248","https://openalex.org/W2101614336","https://openalex.org/W2105313983","https://openalex.org/W2117135852","https://openalex.org/W2118155987","https://openalex.org/W2126507399","https://openalex.org/W2128246191","https://openalex.org/W2128828361","https://openalex.org/W2134301498","https://openalex.org/W2145464998","https://openalex.org/W2147699377","https://openalex.org/W2154674568","https://openalex.org/W2157672418","https://openalex.org/W2168930476","https://openalex.org/W2170160145","https://openalex.org/W2270026710","https://openalex.org/W2314234353","https://openalex.org/W2322466488","https://openalex.org/W2328726371","https://openalex.org/W2335740378","https://openalex.org/W2499995103","https://openalex.org/W2527099271","https://openalex.org/W3007868702","https://openalex.org/W3146866510","https://openalex.org/W4255542375","https://openalex.org/W4285719527","https://openalex.org/W4323649873"],"related_works":["https://openalex.org/W2521938392","https://openalex.org/W1997793807","https://openalex.org/W2748689462","https://openalex.org/W3113397370","https://openalex.org/W1994444120","https://openalex.org/W3138330731","https://openalex.org/W3100902981","https://openalex.org/W4412494531","https://openalex.org/W4313529330","https://openalex.org/W1597841398"],"abstract_inverted_index":{"The":[0,82],"term":[1],"\u201c":[2],"MAX":[3,70,89,111],"phase\u201d":[4],"refers":[5],"to":[6,174],"a":[7,21,69,114,150,207],"very":[8],"interesting":[9],"and":[10,18,27,41,85,199,212],"important":[11],"class":[12],"of":[13,24,62,66,77,88,139,149,186,193],"layered":[14],"ternary":[15],"transition\u2010metal":[16],"carbides":[17],"nitrides":[19],"with":[20,113,146,180],"novel":[22],"combination":[23],"both":[25],"metal":[26],"ceramic\u2010like":[28],"properties":[29,87],"that":[30,220],"have":[31],"made":[32],"these":[33],"materials":[34],"highly":[35],"regarded":[36],"candidates":[37],"for":[38,216],"numerous":[39],"technological":[40],"engineering":[42],"applications.":[43],"Using":[44],"(":[45,91,117,221],"Cr":[46,92,222],"2":[47,50,93,96,126,128,141,223,226],"Hf":[48,94,224],")":[49,95,225],"Al":[51,97,129,227],"3":[52,54,98,100,120,130,132,228,230],"C":[53,99,131,229],"as":[55],"an":[56,181],"example,":[57],"we":[58],"demonstrate":[59],"the":[60,74,104,135,194,213],"possibility":[61],"incorporating":[63],"more":[64,178],"types":[65],"elements":[67],"into":[68],"phase":[71],"while":[72],"maintaining":[73],"crystallinity,":[75],"instead":[76],"creating":[78],"solid":[79,200],"solution":[80,201],"phases.":[81,204],"crystal":[83],"structure":[84,171],"elastic":[86,233],"phase\u2010like":[90],"are":[101],"studied":[102],"using":[103,206],"Vienna":[105],"ab":[106],"initio":[107],"Simulation":[108],"Package.":[109],"Unlike":[110],"phases":[112],"hexagonal":[115],"symmetry":[116],"P":[118,140],"6":[119],"/":[121,143],"mmc":[122],",":[123],"#194),":[124],"(Cr":[125],"Hf)":[127],"crystallizes":[133],"in":[134],"monoclinic":[136],"space":[137],"group":[138],"1":[142],"m":[144],"(#11)":[145],"lattice":[147],"parameters":[148],"=":[151,155,159,163,165,168],"5.1739":[152],"\u00c5,":[153,157],"b":[154],"5.1974":[156],"c":[158],"12.8019":[160],"\u00c5;":[161],"\u03b1":[162],"\u03b2":[164],"90\u00b0,":[166],"\u03b3":[167],"119.8509\u00b0.":[169],"Its":[170],"is":[172],"found":[173],"be":[175],"energetically":[176],"much":[177],"favorable":[179],"energy":[182],"(per":[183],"formula":[184],"unit)":[185],"\u2212102.11":[187],"eV,":[188],"significantly":[189],"lower":[190],"than":[191],"those":[192],"allotropic":[195],"segregation":[196],"(\u2212100.05":[197],"eV)":[198,203],"(\u2212100.13":[202],"Calculations":[205],"stress":[208],"versus":[209],"strain":[210],"approach":[211],"VRH":[214],"approximation":[215],"polycrystals":[217],"also":[218],"show":[219],"has":[231],"outstanding":[232],"moduli.":[234]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2016-06-24T00:00:00"}
