Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Matthew Addicoat; Claire S. Adjiman; Mihails Arhangelskis; Gregory J.O. Beran; David Bowskill; Jan Gerit Brandenburg; Doris E. Braun; Virginia Burger; Jason Cole; Aurora J. Cruz-Cabeza; Graeme M. Day; Volker L. Deringer; Rui Guo; Alan Hare; Julian Helfferich; Johannes Hoja; Luca Iuzzolino; Samuel Jobbins; Noa Marom; David McKay; John B.O. Mitchell; Sharmarke Mohamed; Marcus Neumann; Sten Nilsson Lill; Jonas Nyman; Artem R. Oganov; Pablo Piaggi; Sarah L. Price; Susan Reutzel-Edens; Ivo Rietveld; Michael Ruggiero; Matthew R. Ryder; German Sastre; J. Christian Schön; Christopher Taylor; Alexandre Tkatchenko; Seiji Tsuzuki; Joost van den Ende; Scott M. Woodley; Grahame Woollam; Qiang Zhu

doi:10.1039/C8FD90031K

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Matthew Addicoat
, Claire S. Adjiman
, Mihails Arhangelskis
, Gregory J.O. Beran
, David Bowskill
, Jan Gerit Brandenburg
, Doris E. Braun
, Virginia Burger
, Jason Cole
, Aurora J. Cruz-Cabeza
, Graeme M. Day
, Volker L. Deringer
, Rui Guo
, Alan Hare
, Julian Helfferich
, Johannes Hoja
, Luca Iuzzolino
, Samuel Jobbins
, Noa Marom
, David McKay

John B.O. Mitchell, Sharmarke Mohamed, Marcus Neumann, Sten Nilsson Lill, Jonas Nyman, Artem R. Oganov, Pablo Piaggi, Sarah L. Price, Susan Reutzel-Edens, Ivo Rietveld, Michael Ruggiero, Matthew R. Ryder, German Sastre, J. Christian Schön, Christopher Taylor, Alexandre Tkatchenko, Seiji Tsuzuki, Joost van den Ende, Scott M. Woodley, Grahame Woollam, Qiang Zhu

Neutron & X-Ray Scattering, & Thermophys

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Original language	English
Pages (from-to)	325-381
Number of pages	57
Journal	Faraday Discussions
Volume	211
DOIs	https://doi.org/10.1039/C8FD90031K
State	Published - Oct 26 2018

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Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Bowskill, D., Brandenburg, J. G., Braun, D. E., Burger, V., Cole, J., Cruz-Cabeza, A. J., Day, G. M., Deringer, V. L., Guo, R., Hare, A., Helfferich, J., Hoja, J., Iuzzolino, L., Jobbins, S., Marom, N., ... Zhu, Q. (2018). Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion. Faraday Discussions, 211, 325-381. https://doi.org/10.1039/C8FD90031K

@article{0e638f27a8e84e11a60998714a5163ea,

title = "Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion",

author = "Matthew Addicoat and Adjiman, \{Claire S.\} and Mihails Arhangelskis and Beran, \{Gregory J.O.\} and David Bowskill and Brandenburg, \{Jan Gerit\} and Braun, \{Doris E.\} and Virginia Burger and Jason Cole and Cruz-Cabeza, \{Aurora J.\} and Day, \{Graeme M.\} and Deringer, \{Volker L.\} and Rui Guo and Alan Hare and Julian Helfferich and Johannes Hoja and Luca Iuzzolino and Samuel Jobbins and Noa Marom and David McKay and Mitchell, \{John B.O.\} and Sharmarke Mohamed and Marcus Neumann and \{Nilsson Lill\}, Sten and Jonas Nyman and Oganov, \{Artem R.\} and Pablo Piaggi and Price, \{Sarah L.\} and Susan Reutzel-Edens and Ivo Rietveld and Michael Ruggiero and Ryder, \{Matthew R.\} and German Sastre and Sch{\"o}n, \{J. Christian\} and Christopher Taylor and Alexandre Tkatchenko and Seiji Tsuzuki and \{van den Ende\}, Joost and Woodley, \{Scott M.\} and Grahame Woollam and Qiang Zhu",

year = "2018",

month = oct,

day = "26",

doi = "10.1039/C8FD90031K",

language = "English",

volume = "211",

pages = "325--381",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Addicoat, M, Adjiman, CS, Arhangelskis, M, Beran, GJO, Bowskill, D, Brandenburg, JG, Braun, DE, Burger, V, Cole, J, Cruz-Cabeza, AJ, Day, GM, Deringer, VL, Guo, R, Hare, A, Helfferich, J, Hoja, J, Iuzzolino, L, Jobbins, S, Marom, N, McKay, D, Mitchell, JBO, Mohamed, S, Neumann, M, Nilsson Lill, S, Nyman, J, Oganov, AR, Piaggi, P, Price, SL, Reutzel-Edens, S, Rietveld, I, Ruggiero, M, Ryder, MR, Sastre, G, Schön, JC, Taylor, C, Tkatchenko, A, Tsuzuki, S, van den Ende, J, Woodley, SM, Woollam, G & Zhu, Q 2018, 'Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion', Faraday Discussions, vol. 211, pp. 325-381. https://doi.org/10.1039/C8FD90031K

TY - JOUR

T1 - Crystal structure evaluation

T2 - calculating relative stabilities and other criteria: general discussion

AU - Addicoat, Matthew

AU - Adjiman, Claire S.

AU - Arhangelskis, Mihails

AU - Beran, Gregory J.O.

AU - Bowskill, David

AU - Brandenburg, Jan Gerit

AU - Braun, Doris E.

AU - Burger, Virginia

AU - Cole, Jason

AU - Cruz-Cabeza, Aurora J.

AU - Day, Graeme M.

AU - Deringer, Volker L.

AU - Guo, Rui

AU - Hare, Alan

AU - Helfferich, Julian

AU - Hoja, Johannes

AU - Iuzzolino, Luca

AU - Jobbins, Samuel

AU - Marom, Noa

AU - McKay, David

AU - Mitchell, John B.O.

AU - Mohamed, Sharmarke

AU - Neumann, Marcus

AU - Nilsson Lill, Sten

AU - Nyman, Jonas

AU - Oganov, Artem R.

AU - Piaggi, Pablo

AU - Price, Sarah L.

AU - Reutzel-Edens, Susan

AU - Rietveld, Ivo

AU - Ruggiero, Michael

AU - Ryder, Matthew R.

AU - Sastre, German

AU - Schön, J. Christian

AU - Taylor, Christopher

AU - Tkatchenko, Alexandre

AU - Tsuzuki, Seiji

AU - van den Ende, Joost

AU - Woodley, Scott M.

AU - Woollam, Grahame

AU - Zhu, Qiang

PY - 2018/10/26

Y1 - 2018/10/26

UR - https://www.scopus.com/pages/publications/85055605641

U2 - 10.1039/C8FD90031K

DO - 10.1039/C8FD90031K

M3 - Article

C2 - 30302459

AN - SCOPUS:85055605641

SN - 1359-6640

VL - 211

SP - 325

EP - 381

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

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