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Title: Materials Data on Na2FeH4C5(N2O)3 (SG:58) by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Authors:
Publication Date:
OSTI Identifier:
1264407
Report Number(s):
mp-540591
DOE Contract Number:
AC02-05CH11231; EDCBEE
Resource Type:
Dataset
Data Type:
Specialized Mix
Resource Relation:
Related Information: https://materialsproject.org/citing
Research Org:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
MIT; UC Berkeley; Duke; U Louvain
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE crystal structure; C5 Fe1 H4 N6 Na2 O3; C-Fe-H-N-Na-O; ICSD-162080; ICSD-23937; ICSD-280288; ICSD-202347; ICSD-68237; ICSD-8214; ICSD-280287; ICSD-50269; ICSD-50270; ICSD-65663; electronic bandstructure