即b-phase ZrCo hydride，ZrCoH3或者ZrCoD3都可
如题，COD上只能找到不含氢的ZrCo，类似的cif文件跑出来的结果和文献也不一样，尝试联系文献作者也没有回复
只知道a = 3.531 b = 10.395 c = 4.311
太难了希望有好心人帮忙给个cif文件（祝好心人paper接收顺顺利利）

文献有做的
G. Yang, W. Liu, X. Han, H. Han, Y. Qian, Y. Zeng, X. Wu, J. Qiu, H. Yin, W. Liu, Y. Li, Effects of alloying substitutions on the anti-disproportionation behavior of ZrCo alloy. Int. J. Hydrogen Energy 42, 15782-15789 (2017).
D. Chattaraj, S. C. Parida, S. Dash, C. Majumder, Structural, electronic and thermodynamic properties of ZrCo and ZrCoH3: A first-principles study. Int. J. Hydrogen Energy 37, 18952-18958 (2012). 返回小木虫查看更多