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SUMMARY:Fantastic Electrides and Where to Find Them - Chengcheng Xiao (Imp
 erial College London)
DTSTART;VALUE=DATE-TIME:20220311T140000Z
DTEND;VALUE=DATE-TIME:20220311T150000Z
UID:https://talks.ox.ac.uk/talks/id/e4cf1252-f11d-4a0f-be8e-d1570243a3cb/
DESCRIPTION:Electrides are materials with electrons localized on interstit
 ial sites in the crystal lattice and exhibit an array of interesting prope
 rties that show promise for applications such as catalysts\, electron emit
 ters and superconductors. Electrides can be found among many different cla
 sses of materials\, including elemental metals at high pressure\, organic 
 crystals\, intermetallic compounds and ceramic materials.\nIn this work\, 
 we present a theory that provides a unified understanding of the origin of
  interstitial electrons in all currently known types of electrides. Using 
 this theoretical understanding\, we have devised an automated high-through
 put algorithm based on first-principles electronic structure calculations 
 for identifying systems that are potentially electrides. Applying our work
 flow to the ~55\,000 materials in the Materials Project crystal structure 
 database\, we identified ~10\,000 potential candidates. These candidate sy
 stems demonstrate a smooth transition from the typical (inter)metallic sys
 tems to prototypical electride systems and our method can be used to quant
 itatively measure the likelihood of a system being identified as an electr
 ide.\n\nSpeakers:\nChengcheng Xiao (Imperial College London)
LOCATION:Lecture Theatre\, 21 Banbury Road/Livestream/Recording link: http
 s://ox.cloud.panopto.eu/Panopto/Pages/Viewer.aspx?id=15c77bf8-6ebe-4f8d-ac
 f0-ae4c00ac0438
TZID:Europe/London
URL:https://talks.ox.ac.uk/talks/id/e4cf1252-f11d-4a0f-be8e-d1570243a3cb/
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DESCRIPTION:Talk:Fantastic Electrides and Where to Find Them - Chengcheng 
 Xiao (Imperial College London)
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