skip to main content

SciTech ConnectSciTech Connect

Title: Materials Data on Ca3SiH30CSO25 (SG:173) 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:
1264918
Report Number(s):
mp-541025
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; C1 Ca3 H30 O25 S1 Si1; C-Ca-H-O-S-Si; ICSD-98394; ICSD-98395; ICSD-31247; electronic bandstructure