five

Materials Data on C by Materials Project

收藏
DataCite Commons2021-02-04 更新2025-04-09 收录
下载链接:
https://www.osti.gov/servlets/purl/1751698/
下载链接
链接失效反馈
官方服务:
资源简介:
C crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one C sheet oriented in the (0, 0, 1) direction. there are forty-one inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. All C–C bond lengths are 1.42 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. All C–C bond lengths are 1.43 Å. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the seventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.44 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.42 Å) C–C bond length. In the seventeenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the eighteenth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the nineteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.37 Å) and one longer (1.42 Å) C–C bond length. In the twentieth C site, C is bonded in a single-bond geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the twenty-first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the twenty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-third C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the twenty-seventh C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the twenty-eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the twenty-ninth C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the thirtieth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-first C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent C atoms. In the thirty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the thirty-sixth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the thirty-seventh C site, C is bonded in a single-bond geometry to three C atoms. In the thirty-eighth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-ninth C site, C is bonded in a bent 120 degrees geometry to three C atoms. The C–C bond length is 1.42 Å. In the fortieth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the forty-first C site, C is bonded in a trigonal planar geometry to three C atoms.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
5,000+
优质数据集
54 个
任务类型
进入经典数据集
二维码
社区交流群

面向社区/商业的数据集话题

二维码
科研交流群

面向高校/科研机构的开源数据集话题

数据驱动未来

携手共赢发展

商业合作