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Title: Materials Data on ErS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191820· OSTI ID:1191820

ErS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Er–S bond lengths are 3.22 Å. S+1.50- is bonded to six equivalent Er3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SEr6S6 cuboctahedra. All S–S bond lengths are 2.75 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1191820
Report Number(s):
mp-16331
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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