Crystallography Open Database

Information card for entry 1574071

Preview

Coordinates	1574071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mn0.5 O3 Sr Ti0.5
Calculated formula	Mn0.125 O0.75 Sr0.25 Ti0.125
Title of publication	Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation
Authors of publication	Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr
Journal of publication	Computational Condensed Matter
Year of publication	2025
Journal volume	43
Pages of publication	e01030
a	3.8602 Å
b	3.8602 Å
c	3.8602 Å
α	90°
β	90°
γ	90°
Cell volume	57.521 Å³
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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