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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn2AlV by Materials Project

Mn2VAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All V–Mn bond lengths are 2.52 Å. Mn is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Mn–Al bond lengths are 2.52 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Al2V3 by Materials Project

V3Mn3Al2 is Heusler-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to three equivalent V and five Mn atoms. All V–V bond lengths are 2.57 Å. There are a spread of V–Mn bond distances ranging from 2.56–2.60 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to one V and seven Mn atoms. The V–V bond length is 2.57 Å. There are a spread of V–Mn bond distances ranging from 2.53–2.57 Å. In the third V site, V is bonded in a distorted body-centered cubic geometry to four V, six Mn, and four Al atoms. There are three shorter (2.98 Å) and three longer (2.99 Å) V–Mn bond lengths. There are three shorter (2.57 Å) and one longer (2.59 Å) V–Al bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.54 Å) and three longer (2.57 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to seven V and four Al atoms. There are three shorter (2.56 Å) and one longer (2.61 Å) Mn–Al bond lengths. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to seven V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.57 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted body-centered cubic geometry to three equivalent V and five Mn atoms. In the second Al site, Al is bonded in a distorted body-centered cubic geometry to one V and seven Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn7Al4V5 by Materials Project

V5Mn7Al4 is Heusler-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to three equivalent V and five Mn atoms. All V–V bond lengths are 2.54 Å. There are a spread of V–Mn bond distances ranging from 2.53–2.56 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to one V and seven Mn atoms. The V–V bond length is 2.53 Å. All V–Mn bond lengths are 2.53 Å. In the third V site, V is bonded in a body-centered cubic geometry to eight Mn atoms. There are one shorter (2.52 Å) and seven longer (2.53 Å) V–Mn bond lengths. In the fourth V site, V is bonded in a body-centered cubic geometry to eight Mn atoms. There are one shorter (2.51 Å) and seven longer (2.53 Å) V–Mn bond lengths. In the fifth V site, V is bonded in a distorted body-centered cubic geometry to four V, six Mn, and four Al atoms. There are three shorter (2.93 Å) and three longer (2.94 Å) V–Mn bond lengths. There are three shorter (2.53 Å) and one longer (2.56 Å) V–Al bond lengths. There are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to seven V and four Al atoms. There are three shorter (2.53 Å) and one longer (2.57 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to seven V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. In the third Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. In the fourth Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. In the fifth Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. In the sixth Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. In the seventh Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Mn atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight Mn atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to one V and seven Mn atoms. In the fourth Al site, Al is bonded in a distorted body-centered cubic geometry to three equivalent V and five Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAlV2 by Materials Project

V2MnAl is Tungsten-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms. All V–V bond lengths are 2.58 Å. All V–Mn bond lengths are 2.58 Å. In the second V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. In the third V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. Al is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Al2V by Materials Project

VMn5Al2 is Heusler-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight Mn atoms. There are six shorter (2.51 Å) and two longer (2.52 Å) V–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four equivalent Al atoms. All Mn–Mn bond lengths are 2.50 Å. There are a spread of Mn–Al bond distances ranging from 2.48–2.51 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Al atoms. The Mn–Mn bond length is 2.49 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Mn–Al bond lengths. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Mn and six equivalent Al atoms. There are two shorter (2.88 Å) and four longer (2.89 Å) Mn–Al bond lengths. Al is bonded in a distorted body-centered cubic geometry to eleven Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn11Al4V by Materials Project

VMn11Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight Mn atoms. All V–Mn bond lengths are 2.49 Å. There are eight inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four Mn and four Al atoms. All Mn–Mn bond lengths are 2.47 Å. There are one shorter (2.47 Å) and three longer (2.48 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to four Mn and four equivalent Al atoms. There are one shorter (2.45 Å) and three longer (2.48 Å) Mn–Mn bond lengths. There are one shorter (2.46 Å) and three longer (2.49 Å) Mn–Al bond lengths. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four Al atoms. All Mn–Mn bond lengths are 2.49 Å. There are one shorter (2.47 Å) and three longer (2.48 Å) Mn–Al bond lengths. In the fourth Mn site, Mn is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Al atoms. The Mn–Mn bond length is 2.50 Å. There are three shorter (2.48 Å) and one longer (2.53 Å) Mn–Al bond lengths. In the fifth Mn site, Mn is bonded in a distorted body-centered cubic geometry to four Mn and four equivalent Al atoms. There are one shorter (2.45 Å) and three longer (2.48 Å) Mn–Mn bond lengths. There are one shorter (2.46 Å) and three longer (2.49 Å) Mn–Al bond lengths. In the sixth Mn site, Mn is bonded in a 8-coordinate geometry to eight Mn and six Al atoms. There are three shorter (2.84 Å) and three longer (2.88 Å) Mn–Al bond lengths. In the seventh Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Mn and six equivalent Al atoms. All Mn–Al bond lengths are 2.87 Å. In the eighth Mn site, Mn is bonded in a distorted body-centered cubic geometry to four Mn and four equivalent Al atoms. There are one shorter (2.45 Å) and three longer (2.48 Å) Mn–Mn bond lengths. There are one shorter (2.46 Å) and three longer (2.49 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms. In the second Al site, Al is bonded in a distorted body-centered cubic geometry to eleven Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn9Al4V3 by Materials Project

V3Mn9Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a body-centered cubic geometry to eight Mn atoms. There are a spread of V–Mn bond distances ranging from 2.51–2.53 Å. In the second V site, V is bonded in a body-centered cubic geometry to eight Mn atoms. There are two shorter (2.51 Å) and six longer (2.52 Å) V–Mn bond lengths. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Al atoms. There are three shorter (2.52 Å) and one longer (2.54 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a body-centered cubic geometry to four V and four equivalent Al atoms. All Mn–Al bond lengths are 2.52 Å. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four Al atoms. The Mn–Mn bond length is 2.50 Å. All Mn–Al bond lengths are 2.52 Å. In the fourth Mn site, Mn is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four equivalent Al atoms. All Mn–Mn bond lengths are 2.51 Å. There are one shorter (2.49 Å) and three longer (2.51 Å) Mn–Al bond lengths. In the fifth Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Mn and six equivalent Al atoms. All Mn–Al bond lengths are 2.89 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Mn atoms. In the second Al site, Al is bonded in a distorted body-centered cubic geometry to eleven Mn atoms.

36 MATERIALS SCIENCE↗