{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T23:05:30Z","timestamp":1782947130475,"version":"3.54.5"},"reference-count":92,"publisher":"Royal Society of Chemistry (RSC)","issue":"11","license":[{"start":{"date-parts":[[2027,2,12]],"date-time":"2027-02-12T00:00:00Z","timestamp":1802390400000},"content-version":"am","delay-in-days":407,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Bulk properties of the heaviest known Group 1 element francium are investigated by using density functional theory within the projector augmented wave method including relativistic corrections as well as zero-point vibrational effects.<\/jats:p>","DOI":"10.1039\/d5cp04548g","type":"journal-article","created":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T14:59:03Z","timestamp":1770908343000},"page":"6703-6710","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Accurate relativistic density functional calculations for the solid-state of metallic francium"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9586-1003","authenticated-orcid":false,"given":"Andres","family":"Robles-Navarro","sequence":"first","affiliation":[{"name":"Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study (NZIAS), Massey University Albany, Private Bag 102904, Auckland 0745, New Zealand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4845-686X","authenticated-orcid":false,"given":"Peter","family":"Schwerdtfeger","sequence":"additional","affiliation":[{"name":"Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study (NZIAS), Massey University Albany, Private Bag 102904, Auckland 0745, New Zealand"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP04548G\/cit1\/1","first-page":"387","volume":"10","author":"Adloff","year":"2005","journal-title":"Chem. Educ."},{"key":"D5CP04548G\/cit2\/1","doi-asserted-by":"crossref","first-page":"670","DOI":"10.1038\/nchem.430","volume":"1","author":"Scerri","year":"2009","journal-title":"Nat. Chem."},{"key":"D5CP04548G\/cit3\/1","doi-asserted-by":"crossref","first-page":"034310","DOI":"10.1103\/PhysRevC.64.034310","volume":"64","author":"Liang","year":"2001","journal-title":"Phys. Rev. C:Nucl. Phys."},{"key":"D5CP04548G\/cit4\/1","doi-asserted-by":"crossref","first-page":"1073","DOI":"10.1039\/CT9099501073","volume":"95","author":"Gray","year":"1909","journal-title":"J. Chem. Soc., Trans."},{"key":"D5CP04548G\/cit5\/1","doi-asserted-by":"crossref","first-page":"9961","DOI":"10.1002\/anie.201803353","volume":"57","author":"Smits","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5CP04548G\/cit6\/1","doi-asserted-by":"crossref","first-page":"4181","DOI":"10.1021\/ja01136a066","volume":"74","author":"Hyde","year":"1952","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP04548G\/cit7\/1","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1063\/1.2719251","volume":"36","author":"Sansonetti","year":"2007","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"D5CP04548G\/cit8\/1","first-page":"68","author":"Glasov","year":"1979","journal-title":"Akademiia Nauk SSSR"},{"key":"D5CP04548G\/cit9\/1","first-page":"26","volume":"21","author":"Lavrukhina","year":"1979","journal-title":"Radiokhimiya (USSR)"},{"key":"D5CP04548G\/cit10\/1","doi-asserted-by":"crossref","first-page":"561","DOI":"10.1134\/S0036023614060163","volume":"59","author":"Oshchapovskii","year":"2014","journal-title":"Russian J. Inorg. Chem."},{"key":"D5CP04548G\/cit11\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3389\/fchem.2020.00813","volume":"8","author":"Cao","year":"2021","journal-title":"Front. Chem."},{"key":"D5CP04548G\/cit12\/1","doi-asserted-by":"crossref","first-page":"1953","DOI":"10.1088\/0022-3700\/17\/10\/005","volume":"17","author":"Dzuba","year":"1984","journal-title":"J. Phys. B: At. Mol. Phys."},{"key":"D5CP04548G\/cit13\/1","doi-asserted-by":"crossref","first-page":"2389","DOI":"10.1063\/1.1386413","volume":"115","author":"Landau","year":"2001","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit14\/1","doi-asserted-by":"crossref","first-page":"104103","DOI":"10.1063\/1.1856451","volume":"122","author":"Lim","year":"2005","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit15\/1","doi-asserted-by":"crossref","first-page":"1364","DOI":"10.1021\/ed086p1364","volume":"86","author":"Orna","year":"2009","journal-title":"J. Chem. Educ."},{"key":"D5CP04548G\/cit16\/1","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1088\/0034-4885\/69\/1\/R02","volume":"69","author":"Gomez","year":"2005","journal-title":"Rep. Prog. Phys."},{"key":"D5CP04548G\/cit17\/1","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1140\/epjst\/e2007-00355-8","volume":"150","author":"Stancari","year":"2007","journal-title":"Eur. Phys. J. Special Topics"},{"key":"D5CP04548G\/cit18\/1","doi-asserted-by":"crossref","first-page":"12549","DOI":"10.1021\/jp904020s","volume":"113","author":"Mukherjee","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"D5CP04548G\/cit19\/1","doi-asserted-by":"crossref","first-page":"e1396","DOI":"10.1002\/wcms.1396","volume":"9","author":"Berger","year":"2019","journal-title":"WIREs Comput. Mol. Sci."},{"key":"D5CP04548G\/cit20\/1","doi-asserted-by":"crossref","first-page":"2070","DOI":"10.1002\/qua.24466","volume":"113","author":"Koufos","year":"2013","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP04548G\/cit21\/1","doi-asserted-by":"crossref","first-page":"e202313679","DOI":"10.1002\/anie.202313679","volume":"63","author":"Robles-Navarro","year":"2024","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5CP04548G\/cit22\/1","doi-asserted-by":"crossref","DOI":"10.1201\/9781315380476","volume-title":"CRC handbook of chemistry and physics","author":"Haynes","year":"2016","unstructured":"W. M.Haynes ,  CRC handbook of chemistry and physics ,  CRC press ,  Boca Raton ,  2016"},{"key":"D5CP04548G\/cit23\/1","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1107\/S0365110X56001790","volume":"9","author":"Barrett","year":"1956","journal-title":"Acta Cryst."},{"key":"D5CP04548G\/cit24\/1","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1103\/PhysRevLett.53.64","volume":"53","author":"Overhauser","year":"1984","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04548G\/cit25\/1","doi-asserted-by":"crossref","first-page":"14436","DOI":"10.1103\/PhysRevB.46.14436","volume":"46","author":"Berliner","year":"1992","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit26\/1","doi-asserted-by":"crossref","first-page":"1254","DOI":"10.1126\/science.aal4886","volume":"356","author":"Ackland","year":"2017","journal-title":"Science"},{"key":"D5CP04548G\/cit27\/1","doi-asserted-by":"crossref","first-page":"8389","DOI":"10.1021\/acs.jpcc.5c01083","volume":"129","author":"Robles-Navarro","year":"2025","journal-title":"J. Phys. Chem. C"},{"key":"D5CP04548G\/cit28\/1","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1016\/j.cplett.2008.12.042","volume":"469","author":"Stoll","year":"2009","journal-title":"Chem. Phys. Lett."},{"key":"D5CP04548G\/cit29\/1","doi-asserted-by":"crossref","first-page":"214102","DOI":"10.1103\/PhysRevB.87.214102","volume":"87","author":"Schimka","year":"2013","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit30\/1","first-page":"799","volume":"8","author":"Sliwko","year":"1996","journal-title":"J. Phys.: Cond. Mater."},{"key":"D5CP04548G\/cit31\/1","doi-asserted-by":"crossref","first-page":"11834","DOI":"10.1103\/PhysRevB.57.11834","volume":"57","author":"Jaffe","year":"1998","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit32\/1","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1016\/S0038-1098(01)00277-0","volume":"119","author":"Christensen","year":"2001","journal-title":"Solid State Commun."},{"key":"D5CP04548G\/cit33\/1","doi-asserted-by":"crossref","first-page":"13369","DOI":"10.1039\/D2CC04928G","volume":"58","author":"Jerabek","year":"2022","journal-title":"Chem. Commun."},{"key":"D5CP04548G\/cit34\/1","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1139\/p80-124","volume":"58","author":"Upadhyaya","year":"1980","journal-title":"Can. J. Phys."},{"key":"D5CP04548G\/cit35\/1","doi-asserted-by":"crossref","first-page":"3511","DOI":"10.1088\/0953-4075\/23\/20\/014","volume":"23","author":"Arnold","year":"1990","journal-title":"J. Phys. B: At., Mol. Opt. Phys."},{"key":"D5CP04548G\/cit36\/1","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1016\/0092-640X(73)90020-X","volume":"12","author":"Desclaux","year":"1973","journal-title":"At. Data Nucl. Data Tables"},{"key":"D5CP04548G\/cit37\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/10408436.2013.772503","volume":"39","author":"Lejaeghere","year":"2014","journal-title":"Crit. Rev. Solid State Mater. Sci."},{"key":"D5CP04548G\/cit38\/1","doi-asserted-by":"crossref","first-page":"20130270","DOI":"10.1098\/rsta.2013.0270","volume":"372","author":"Hasnip","year":"2014","journal-title":"Philos. Trans. R. Soc., A"},{"key":"D5CP04548G\/cit39\/1","doi-asserted-by":"crossref","first-page":"28700","DOI":"10.1039\/D2CP02827A","volume":"24","author":"Teale","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04548G\/cit40\/1","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit41\/1","doi-asserted-by":"crossref","first-page":"1456","DOI":"10.1002\/jcc.21759","volume":"32","author":"Grimme","year":"2011","journal-title":"J. Comput. Chem."},{"key":"D5CP04548G\/cit42\/1","doi-asserted-by":"crossref","first-page":"7615","DOI":"10.1021\/jp501237c","volume":"118","author":"Moellmann","year":"2014","journal-title":"J. Phys. Chem. C"},{"key":"D5CP04548G\/cit43\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3389\/fchem.2020.00813","volume":"8","author":"Cao","year":"2021","journal-title":"Front. Chem."},{"key":"D5CP04548G\/cit44\/1","doi-asserted-by":"crossref","first-page":"640","DOI":"10.1016\/j.nuclphysa.2015.09.012","volume":"944","author":"T\u00fcrler","year":"2015","journal-title":"Nucl. Phys. A"},{"key":"D5CP04548G\/cit45\/1","doi-asserted-by":"crossref","first-page":"18048","DOI":"10.1039\/C9CP02455G","volume":"21","author":"Trombach","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04548G\/cit46\/1","doi-asserted-by":"crossref","first-page":"024116","DOI":"10.1103\/319b-1fv5","volume":"113","author":"Robles-Navarro","year":"2026","journal-title":"Phys. Rev. B"},{"key":"D5CP04548G\/cit47\/1","doi-asserted-by":"crossref","first-page":"094104","DOI":"10.1063\/5.0276677","volume":"163","author":"Robles-Navarro","year":"2025","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit48\/1","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1109\/JPROC.2015.2494218","volume":"104","author":"Shahriari","year":"2015","journal-title":"Proc. IEEE"},{"key":"D5CP04548G\/cit49\/1","doi-asserted-by":"crossref","DOI":"10.1017\/9781108348973","volume-title":"Bayesian optimization","author":"Garnett","year":"2023","unstructured":"R.Garnett ,  Bayesian optimization ,  Cambridge University Press ,  2023"},{"key":"D5CP04548G\/cit50\/1","volume-title":"Numerical optimization","author":"Nocedal","year":"2006","unstructured":"J.Nocedal  and  S. J.Wright ,  Numerical optimization ,  Springer ,  2006"},{"key":"D5CP04548G\/cit51\/1","doi-asserted-by":"crossref","first-page":"376","DOI":"10.1017\/S0305004100016108","volume":"26","author":"Dirac","year":"1930","journal-title":"Math. Proc. Cambridge Phil. Soc."},{"key":"D5CP04548G\/cit52\/1","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.1139\/p80-159","volume":"58","author":"Vosko","year":"1980","journal-title":"Can. J. Phys."},{"key":"D5CP04548G\/cit53\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04548G\/cit54\/1","doi-asserted-by":"crossref","first-page":"136406","DOI":"10.1103\/PhysRevLett.100.136406","volume":"100","author":"Perdew","year":"2008","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04548G\/cit55\/1","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1103\/PhysRevB.47.558","volume":"47","author":"Kresse","year":"1993","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit56\/1","doi-asserted-by":"crossref","first-page":"14251","DOI":"10.1103\/PhysRevB.49.14251","volume":"49","author":"Kresse","year":"1994","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit57\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mat. Sci."},{"key":"D5CP04548G\/cit58\/1","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit59\/1","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit60\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit61\/1","doi-asserted-by":"crossref","first-page":"16223","DOI":"10.1103\/PhysRevB.49.16223","volume":"49","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit62\/1","volume-title":"Gaussian processes for machine learning","author":"Williams","year":"2006","unstructured":"C. K.Williams  and  C. E.Rasmussen ,  Gaussian processes for machine learning ,  MIT press ,  Cambridge, MA ,  2006 , vol. 2"},{"key":"D5CP04548G\/cit63\/1","first-page":"2825","volume":"12","author":"Pedregosa","year":"2011","journal-title":"J. Mach. Learning Res."},{"key":"D5CP04548G\/cit64\/1","first-page":"117","volume":"2","author":"Mockus","year":"1998","journal-title":"Towards Global Opt."},{"key":"D5CP04548G\/cit65\/1","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1023\/A:1008306431147","volume":"13","author":"Jones","year":"1998","journal-title":"J. Global Opt."},{"key":"D5CP04548G\/cit66\/1","first-page":"1","volume":"31","author":"Wilson","year":"2018","journal-title":"Adv. Neural Inf. Processing Syst."},{"key":"D5CP04548G\/cit67\/1","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1063\/1.1749433","volume":"2","author":"Badger","year":"1934","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit68\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.scriptamat.2015.07.021","volume":"108","author":"Togo","year":"2015","journal-title":"Scr. Mater."},{"key":"D5CP04548G\/cit69\/1","doi-asserted-by":"crossref","first-page":"809","DOI":"10.1103\/PhysRev.71.809","volume":"71","author":"Birch","year":"1947","journal-title":"Phys. Rev."},{"key":"D5CP04548G\/cit70\/1","doi-asserted-by":"crossref","first-page":"1257","DOI":"10.1029\/JB083iB03p01257","volume":"83","author":"Birch","year":"1978","journal-title":"J. Geophys. Res.: Solid Earth"},{"key":"D5CP04548G\/cit71\/1","first-page":"67","volume":"8","author":"Hama","year":"1996","journal-title":"J. Phys.: Cond. Matter"},{"key":"D5CP04548G\/cit72\/1","doi-asserted-by":"crossref","first-page":"790","DOI":"10.1103\/PhysRevB.37.790","volume":"37","author":"Moruzzi","year":"1988","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit73\/1","volume-title":"Introduction to Solid State Physics","author":"Kittel","year":"2005","unstructured":"C.Kittel ,  Introduction to Solid State Physics ,  John Wiley & Sons, Inc ,  Hoboken, NJ ,  2005 , vol. 3"},{"key":"D5CP04548G\/cit74\/1","doi-asserted-by":"crossref","first-page":"5173","DOI":"10.1103\/PhysRevB.16.5173","volume":"16","author":"Felice","year":"1977","journal-title":"Phys. Rev. B"},{"key":"D5CP04548G\/cit75\/1","doi-asserted-by":"crossref","first-page":"668","DOI":"10.1103\/PhysRevB.31.668","volume":"31","author":"Anderson","year":"1985","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit76\/1","doi-asserted-by":"crossref","first-page":"574","DOI":"10.1103\/PhysRevB.22.574","volume":"22","author":"McCarthy","year":"1980","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit77\/1","doi-asserted-by":"crossref","first-page":"014105","DOI":"10.1063\/5.0241375","volume":"162","author":"Cooper","year":"2025","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit78\/1","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1038\/029205a0","volume":"29","author":"Barlow","year":"1883","journal-title":"Nature"},{"key":"D5CP04548G\/cit79\/1","doi-asserted-by":"crossref","first-page":"8387","DOI":"10.1021\/acs.jpclett.4c01986","volume":"15","author":"Cooper","year":"2024","journal-title":"J. Phys. Chem. Lett."},{"key":"D5CP04548G\/cit80\/1","doi-asserted-by":"crossref","first-page":"12086","DOI":"10.1103\/PhysRevB.40.12086","volume":"40","author":"Berliner","year":"1989","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit81\/1","doi-asserted-by":"crossref","first-page":"2271","DOI":"10.1103\/PhysRevB.10.2271","volume":"10","author":"Dunn","year":"1974","journal-title":"Phys. Rev. B"},{"key":"D5CP04548G\/cit82\/1","doi-asserted-by":"crossref","first-page":"155107","DOI":"10.1103\/PhysRevB.79.155107","volume":"79","author":"Csonka","year":"2009","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5CP04548G\/cit83\/1","doi-asserted-by":"crossref","first-page":"164703","DOI":"10.1063\/1.5047863","volume":"149","author":"Jana","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit84\/1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-0961-2","volume-title":"Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules","author":"Huber","year":"1979","unstructured":"K. P.Huber  and  G.Herzberg ,  Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules ,  Van Nostrand Reinhold Company ,  New York ,  1979"},{"key":"D5CP04548G\/cit85\/1","doi-asserted-by":"crossref","first-page":"5354","DOI":"10.1063\/1.448618","volume":"82","author":"Weickenmeier","year":"1985","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit86\/1","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1103\/PhysRevLett.41.702","volume":"41","author":"Alexander","year":"1978","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04548G\/cit87\/1","first-page":"169","volume-title":"Relativistic Effects in Molecular Structure of S-and P-Block Elements","author":"Schwerdtfeger","year":"2002","unstructured":"P.Schwerdtfeger ,  Relativistic Effects in Molecular Structure of S-and P-Block Elements , ed.  A. Domenicano  and  I. Hargittai ,  Springer ,  Netherlands, Dordrecht ,  2002 ,  pp. 169\u2013190"},{"key":"D5CP04548G\/cit88\/1","doi-asserted-by":"crossref","first-page":"022501","DOI":"10.1103\/PhysRevA.80.022501","volume":"80","author":"Thierfelder","year":"2009","journal-title":"Phys. Rev. A:At., Mol., Opt. Phys."},{"key":"D5CP04548G\/cit89\/1","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/j.chemphys.2011.04.017","volume":"395","author":"Pershina","year":"2012","journal-title":"Chem. Phys."},{"key":"D5CP04548G\/cit90\/1","doi-asserted-by":"crossref","first-page":"174113","DOI":"10.1063\/1.4803148","volume":"138","author":"Hangele","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D5CP04548G\/cit91\/1","doi-asserted-by":"crossref","first-page":"052805","DOI":"10.1103\/jpj3-l4c3","volume":"112","author":"Saetgaraev","year":"2025","journal-title":"Phys. Rev. A"},{"key":"D5CP04548G\/cit92\/1","volume-title":"Selected values of the crystallographic properties of elements","author":"Arblaster","year":"2018","unstructured":"J. W.Arblaster ,  Selected values of the crystallographic properties of elements ,  ASM International ,  Ohio ,  2018"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D5CP04548G","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:57:35Z","timestamp":1782943055000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/11\/6703-6710\/887814"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":92,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2026,3,18]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp04548g","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}