{"id":"https://openalex.org/W4367307779","doi":"https://doi.org/10.1007/s00894-023-05573-w","title":"Pressure effect on the physical, mechanical, and thermal properties of ternary halide perovskite AgCaCl3: a first-principles study","display_name":"Pressure effect on the physical, mechanical, and thermal properties of ternary halide perovskite AgCaCl3: a first-principles study","publication_year":2023,"publication_date":"2023-04-28","ids":{"openalex":"https://openalex.org/W4367307779","doi":"https://doi.org/10.1007/s00894-023-05573-w","pmid":"https://pubmed.ncbi.nlm.nih.gov/37118316"},"language":"en","primary_location":{"id":"doi:10.1007/s00894-023-05573-w","doi":"https://doi.org/10.1007/s00894-023-05573-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-023-05573-w","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","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/A5038106598","display_name":"Ahmed Boucherdoud","orcid":"https://orcid.org/0000-0003-0944-1198","observed_orcids":["https://orcid.org/0000-0003-0944-1198"]},"institutions":[{"id":"https://openalex.org/I177657909","display_name":"Universit\u00e9 de Mostaganem","ror":"https://ror.org/052r04325","country_code":"DZ","type":"education","lineage":["https://openalex.org/I177657909"]},{"id":"https://openalex.org/I4210153799","display_name":"Ahmed Zabana University - Relizane","ror":"https://ror.org/04tz4vh74","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4210153799"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Ahmed Boucherdoud","raw_affiliation_strings":["Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria. bo-ahmed@live.fr","Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria. bo-ahmed@live.fr","Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria. bo-ahmed@live.fr","institution_ids":["https://openalex.org/I4210153799"]},{"raw_affiliation_string":"Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria. bo-ahmed@live.fr","institution_ids":["https://openalex.org/I177657909"]},{"raw_affiliation_string":"Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","institution_ids":["https://openalex.org/I4210153799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022122723","display_name":"Smain Mesbah","orcid":"https://orcid.org/0009-0003-6013-7797","observed_orcids":["https://orcid.org/0009-0003-6013-7797"]},"institutions":[{"id":"https://openalex.org/I4210125514","display_name":"Universit\u00e9 Djilali de Sidi Bel Abb\u00e8s","ror":"https://ror.org/0378szg41","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4210125514"]},{"id":"https://openalex.org/I4210153799","display_name":"Ahmed Zabana University - Relizane","ror":"https://ror.org/04tz4vh74","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4210153799"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Smain Mesbah","raw_affiliation_strings":["Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","Laboratory Physico-Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, 22000, Sidi- Bel- Abbes, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","institution_ids":["https://openalex.org/I4210153799"]},{"raw_affiliation_string":"Laboratory Physico-Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, 22000, Sidi- Bel- Abbes, Algeria","institution_ids":["https://openalex.org/I4210125514"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054171587","display_name":"Tayeb LANTRI","orcid":"https://orcid.org/0000-0001-9164-3877","observed_orcids":["https://orcid.org/0000-0001-9164-3877","https://orcid.org/0000-0003-3792-1826"]},"institutions":[{"id":"https://openalex.org/I177657909","display_name":"Universit\u00e9 de Mostaganem","ror":"https://ror.org/052r04325","country_code":"DZ","type":"education","lineage":["https://openalex.org/I177657909"]},{"id":"https://openalex.org/I4210153799","display_name":"Ahmed Zabana University - Relizane","ror":"https://ror.org/04tz4vh74","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4210153799"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Tayeb Lantri","raw_affiliation_strings":["Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","Laboratory of Technology and of Solids Properties, Faculty of Science and Technology, Abdel Hamid Ibn Badis University, 27000, Mostaganem, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","institution_ids":["https://openalex.org/I4210153799"]},{"raw_affiliation_string":"Laboratory of Technology and of Solids Properties, Faculty of Science and Technology, Abdel Hamid Ibn Badis University, 27000, Mostaganem, Algeria","institution_ids":["https://openalex.org/I177657909"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084603731","display_name":"Mohammed Houari","orcid":"https://orcid.org/0000-0002-3035-7233","observed_orcids":["https://orcid.org/0000-0002-3035-7233"]},"institutions":[{"id":"https://openalex.org/I177657909","display_name":"Universit\u00e9 de Mostaganem","ror":"https://ror.org/052r04325","country_code":"DZ","type":"education","lineage":["https://openalex.org/I177657909"]},{"id":"https://openalex.org/I4210153799","display_name":"Ahmed Zabana University - Relizane","ror":"https://ror.org/04tz4vh74","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4210153799"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Mohammed Houari","raw_affiliation_strings":["Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","Laboratory of Technology and of Solids Properties, Faculty of Science and Technology, Abdel Hamid Ibn Badis University, 27000, Mostaganem, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Science and Technology, University of Relizane , 48000, Bourmadia, Algeria","institution_ids":["https://openalex.org/I4210153799"]},{"raw_affiliation_string":"Laboratory of Technology and of Solids Properties, Faculty of Science and Technology, Abdel Hamid Ibn Badis University, 27000, Mostaganem, Algeria","institution_ids":["https://openalex.org/I177657909"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102854382","display_name":"Benaouda Bestan\u0131","orcid":"https://orcid.org/0000-0002-6123-2871","observed_orcids":["https://orcid.org/0000-0002-6123-2871"]},"institutions":[{"id":"https://openalex.org/I177657909","display_name":"Universit\u00e9 de Mostaganem","ror":"https://ror.org/052r04325","country_code":"DZ","type":"education","lineage":["https://openalex.org/I177657909"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Benaouda Bestani","raw_affiliation_strings":["Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria","institution_ids":["https://openalex.org/I177657909"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112302786","display_name":"Nouredine Benderdouche","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I177657909","display_name":"Universit\u00e9 de Mostaganem","ror":"https://ror.org/052r04325","country_code":"DZ","type":"education","lineage":["https://openalex.org/I177657909"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Nouredine Benderdouche","raw_affiliation_strings":["Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Structure, Elaboration, and Application of Molecular Materials (SEA2M), Faculty of Science and Technology, University Abdelhamid Ibn Badis of Mostaganem, Mostaganem, Algeria","institution_ids":["https://openalex.org/I177657909"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5022122723","https://openalex.org/A5038106598","https://openalex.org/A5054171587","https://openalex.org/A5084603731","https://openalex.org/A5102854382","https://openalex.org/A5112302786"],"corresponding_institution_ids":["https://openalex.org/I177657909","https://openalex.org/I4210125514","https://openalex.org/I4210153799"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":3.0002,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.92498356,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"29","issue":"5","first_page":"164","last_page":"164"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.47850000858306885,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.47850000858306885,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.42480000853538513,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11878","display_name":"Solid-state spectroscopy and crystallography","score":0.016499999910593033,"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/pressure-effects","display_name":"pressure effects","score":0.6119999885559082},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.7599999904632568},{"id":"https://openalex.org/keywords/density-of-states","display_name":"density of states","score":0.8840000033378601},{"id":"https://openalex.org/keywords/optical-properties","display_name":"optical properties","score":0.9440000057220459},{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.8700000047683716},{"id":"https://openalex.org/keywords/mechanical-stability","display_name":"mechanical stability","score":0.7279999852180481},{"id":"https://openalex.org/keywords/elastic-modulus","display_name":"elastic modulus","score":0.6909999847412109},{"id":"https://openalex.org/keywords/debye-temperature","display_name":"Debye temperature","score":0.878000020980835},{"id":"https://openalex.org/keywords/thermodynamic-properties","display_name":"thermodynamic properties","score":0.7940000295639038},{"id":"https://openalex.org/keywords/thermal-expansion","display_name":"thermal expansion","score":0.6769999861717224},{"id":"https://openalex.org/keywords/gibbs-free-energy","display_name":"Gibbs free energy","score":0.6909999847412109},{"id":"https://openalex.org/keywords/entropy","display_name":"entropy","score":0.703000009059906},{"id":"https://openalex.org/keywords/lens-manufacturing","display_name":"lens fabrication","score":0.3310000002384186}],"concepts":[{"id":"https://openalex.org/C25376523","wikidata":"https://www.wikidata.org/wiki/Q1151031","display_name":"Debye model","level":2,"score":0.6597632169723511},{"id":"https://openalex.org/C94406020","wikidata":"https://www.wikidata.org/wiki/Q900371","display_name":"Bulk modulus","level":2,"score":0.6287536025047302},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5821431279182434},{"id":"https://openalex.org/C91556481","wikidata":"https://www.wikidata.org/wiki/Q208388","display_name":"Isochoric process","level":2,"score":0.5293225646018982},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4987754821777344},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4846001863479614},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.47706830501556396},{"id":"https://openalex.org/C65412894","wikidata":"https://www.wikidata.org/wiki/Q2749650","display_name":"WIEN2k","level":4,"score":0.4672759771347046},{"id":"https://openalex.org/C47463417","wikidata":"https://www.wikidata.org/wiki/Q6583695","display_name":"Thermal expansion","level":2,"score":0.46512389183044434},{"id":"https://openalex.org/C41279357","wikidata":"https://www.wikidata.org/wiki/Q461466","display_name":"Shear modulus","level":2,"score":0.4644584357738495},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.4275780916213989},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.4011690020561218},{"id":"https://openalex.org/C9249130","wikidata":"https://www.wikidata.org/wiki/Q898241","display_name":"Local-density approximation","level":3,"score":0.2724345922470093},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2645299732685089},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.19491857290267944},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.1793534755706787},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.16015836596488953},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.112201988697052},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/s00894-023-05573-w","doi":"https://doi.org/10.1007/s00894-023-05573-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-023-05573-w","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},{"id":"pmid:37118316","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37118316","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":"Journal of molecular modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W14127304","https://openalex.org/W1968349806","https://openalex.org/W2002762157","https://openalex.org/W2008849872","https://openalex.org/W2015258171","https://openalex.org/W2020487990","https://openalex.org/W2035937587","https://openalex.org/W2057236759","https://openalex.org/W2057484842","https://openalex.org/W2085068298","https://openalex.org/W2150539921","https://openalex.org/W2407638064","https://openalex.org/W2549821796","https://openalex.org/W2562253579","https://openalex.org/W2563956878","https://openalex.org/W2620211656","https://openalex.org/W2800423807","https://openalex.org/W2910387983","https://openalex.org/W2985267390","https://openalex.org/W3003353037","https://openalex.org/W3093922560","https://openalex.org/W3137072711","https://openalex.org/W3170841578","https://openalex.org/W4205579052","https://openalex.org/W4210638438","https://openalex.org/W4213193558","https://openalex.org/W4214598720","https://openalex.org/W4223951137","https://openalex.org/W4225279981","https://openalex.org/W4282970119","https://openalex.org/W4283792896","https://openalex.org/W4286587090","https://openalex.org/W4292547106","https://openalex.org/W4293379978","https://openalex.org/W4307227769","https://openalex.org/W4309293868","https://openalex.org/W4309455269","https://openalex.org/W4313251763"],"related_works":["https://openalex.org/W7125946058","https://openalex.org/W4390614004","https://openalex.org/W4387445280","https://openalex.org/W4293379978","https://openalex.org/W4387639970","https://openalex.org/W4391326384","https://openalex.org/W3155911238","https://openalex.org/W7202090516","https://openalex.org/W4394002638","https://openalex.org/W4389458101"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":2}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2023-04-29T00:00:00"}