Here, the combination of theoretical computations followed by rapid experimental screening and in situ diffraction studies is demonstrated as a powerful strategy for novel compounds discovery. When applied for the previously “empty” Na−Zn−Bi system, such an approach led to four novel phases. The compositional space of this system was rapidly screened via the hydride route method and the theoretically predicted NaZnBi (PbClF type,
A new compound NaCd4Sb3(
- Award ID(s):
- 1944551
- NSF-PAR ID:
- 10369809
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Zeitschrift für anorganische und allgemeine Chemie
- Volume:
- 648
- Issue:
- 15
- ISSN:
- 0044-2313
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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