Acta Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS
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Acta Cryst.
(2014).
B
70
,
809-819
https://doi.org/10.1107/S2052520614013122
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Download citation
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Prediction of possible CaMnO
3
modifications using an
ab initio
minimization data-mining approach
J. Zagorac
,
D. Zagorac
,
A. Zarubica
,
J. C. Schön
,
K. Djuris
and
B. Matovic
A theoretical study of CaMnO
3
perovskite structures was performed combining various methods ranging from data mining to the
ab initio
local optimizations.
Keywords:
structure prediction
;
perovskite
;
phase transitions
;
ceramics
.
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