Crystal structures as periodic graphs: the topological genome and graph databases

被引：25

作者：

Delgado-Friedrichs, Olaf ^{[1
]}

Hyde, Stephen T. ^{[1
]}

O'Keeffe, Michael ^{[2
]}

Yaghi, Omar M. ^{[3
,4
]}

机构：

[1] Australian Natl Univ, Dept Appl Math, Res Sch Phys & Engn, Canberra, ACT 2601, Australia

[2] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85287 USA

[3] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[4] Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA

来源：

STRUCTURAL CHEMISTRY | 2017年 / 28卷 / 01期

基金：

美国国家科学基金会;

关键词：

Nets; Tilings; Databases; Materials design; NETS; FRAMEWORKS; TILINGS; ENUMERATION; DESIGN;

D O I：

10.1007/s11224-016-0853-3

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We call attention to methods of enumerating periodic structures and to the databases that contain them. These provide information essential to the systematic design of crystalline materials. The underlying topology is uniquely specified and identifiable from the Systre key which is thus the topological genome.

引用

页码：39 / 44

页数：6

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