Published August 21, 1975 | Version v1
Journal article

Prediction of double chemical compounds with A15-type crystalline structure using electronic computer

  • 1. AN SSSR, Moscow. Inst. Metallurgii

Description

Double chemical compounds with a crystalline structure of the A15 type have been prognosticated with the aid of computer. The prognosis has been obtained from the data on the electronic structure of atoms in the normal state, with use being made of 85 examples of which 32 are examples of the presence and 53 are those of the absence of compounds of the A15 type. Results are given of prognosticating double compounds with a crystal lattice of the A15 type, based on the thorium and transuranium elements. The verification of a small amount of control data has shown a good fit to the prognosis. Ideal component ratio in the compounds corresponds to the stoichiometric formula A3B. Rare-earth elements, substituting from component B, must form compounds of the A15 type with d-elements of the 6 period. Lanthanides must form a structure of the A15 type with similar elements of the 4 period. The prognosis indicates that elements with a filled d-shell must be an indispensable component of phases of the A15 type

Additional details

Additional titles

Original title (Russian)
Прогноз двойных химических соединений с кристаллической структурой типа A15 при помощи EhVM

Publishing Information

Journal Title
Dokl. Akad. Nauk SSSR
Journal Volume
223
Journal Issue
6
Series
Dokl. Akad. Nauk SSSR.
Journal Page Range
1383-1386