U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfPt3 by Materials Project
Abstract
HfPt3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pt atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.87 Å) Hf–Pt bond lengths. In the second Hf site, Hf is bonded to twelve Pt atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. All Hf–Pt bond lengths are 2.86 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted see-saw-like geometry to four Hf atoms. In the second Pt site, Pt is bonded in a distorted square co-planar geometry to four Hf atoms.
- Publication Date:
- Other Number(s):
- mp-11456
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Hf-Pt; HfPt3; crystal structure
- OSTI Identifier:
- 1187848
- DOI:
- https://doi.org/10.17188/1187848
Citation Formats
Materials Data on HfPt3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187848.
Materials Data on HfPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1187848
2020.
"Materials Data on HfPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1187848. https://www.osti.gov/servlets/purl/1187848. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1187848,
title = {Materials Data on HfPt3 by Materials Project},
abstractNote = {HfPt3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pt atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.87 Å) Hf–Pt bond lengths. In the second Hf site, Hf is bonded to twelve Pt atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. All Hf–Pt bond lengths are 2.86 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted see-saw-like geometry to four Hf atoms. In the second Pt site, Pt is bonded in a distorted square co-planar geometry to four Hf atoms.},
doi = {10.17188/1187848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}