Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “High dimensional data,”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TeWO6 by Materials Project

WTeO6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All W–O bond lengths are 1.92 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Te–O bond lengths are 1.91 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReWO6 by Materials Project

WReO6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All W–O bond lengths are 1.94 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Re–O bond lengths are 1.89 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one W6+ and one Re6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on HeSiO2 by Materials Project

HeSiO2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight helium molecules and one SiO2 framework. In the SiO2 framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrN2 by Materials Project

CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.70 Å) and three longer (1.74 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is three shorter (1.72 Å) and one longer (1.75 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Zr3NbCr4F24 by Materials Project

Zr3NbCr4F24 is High-temperature superconductor-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Zr+3.33+ sites. In the first Zr+3.33+ site, Zr+3.33+ is bonded to six F1- atoms to form ZrF6 octahedra that share corners with six CrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Zr–F bond distances ranging from 2.01–2.08 Å. In the second Zr+3.33+ site, Zr+3.33+ is bonded to six F1- atoms to form ZrF6 octahedra that share corners with six CrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Zr–F bond distances ranging from 2.00–2.08 Å. In the third Zr+3.33+ site, Zr+3.33+ is bonded to six F1- atoms to form ZrF6 octahedra that share corners with six CrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Zr–F bond distances ranging from 2.00–2.07 Å. Nb2+ is bonded to six F1- atoms to form NbF6 octahedra that share corners with six CrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Nb–F bond distances ranging from 1.94–2.08 Å. There are four inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with two equivalent NbF6 octahedra and corners with four ZrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Cr–F bond distances ranging from 2.04–2.36 Å. In the second Cr3+ site, Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with two equivalent NbF6 octahedra and corners with four ZrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Cr–F bond distances ranging from 2.04–2.27 Å. In the third Cr3+ site, Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with six ZrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Cr–F bond distances ranging from 2.05–2.29 Å. In the fourth Cr3+ site, Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with two equivalent NbF6 octahedra and corners with four ZrF6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Cr–F bond distances ranging from 2.06–2.28 Å. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Nb2+ and one Cr3+ atom. In the third F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the sixth F1- site, F1- is bonded in a linear geometry to one Nb2+ and one Cr3+ atom. In the seventh F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the eleventh F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the twelfth F1- site, F1- is bonded in a linear geometry to one Nb2+ and one Cr3+ atom. In the thirteenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the fourteenth F1- site, F1- is bonded in a linear geometry to one Nb2+ and one Cr3+ atom. In the fifteenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the sixteenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the seventeenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the eighteenth F1- site, F1- is bonded in a linear geometry to one Nb2+ and one Cr3+ atom. In the nineteenth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom. In the twentieth F1- site, F1- is bonded in a linear geometry to one Zr+3.33+ and one Cr3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FePO6 by Materials Project

FePO4O2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one FePO4 framework. In the FePO4 framework, Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.88–1.90 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Fe and one P atom. In the second O site, O is bonded in a linear geometry to one Fe and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PBr2 by Materials Project

P(Br)2 is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one bromine molecule and one phosphine molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoBr3N5 by Materials Project

CoN5Br3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CoN5Br3 clusters. Co4+ is bonded in a 2-coordinate geometry to five N+1.40- atoms. There are a spread of Co–N bond distances ranging from 1.60–2.22 Å. There are four inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a T-shaped geometry to one Co4+ and two equivalent N+1.40- atoms. Both N–N bond lengths are 1.20 Å. In the second N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Co4+ and one Br1+ atom. The N–Br bond length is 1.81 Å. In the third N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Co4+ and two equivalent Br1+ atoms. Both N–Br bond lengths are 1.90 Å. In the fourth N+1.40- site, N+1.40- is bonded in a 2-coordinate geometry to one Co4+ and one N+1.40- atom. There are two inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one N+1.40- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one N+1.40- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoN5Cl3 by Materials Project

CoN5Cl3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CoN5Cl3 clusters. Co2+ is bonded in a distorted bent 120 degrees geometry to five N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.58–1.95 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.42 Å. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the third N+0.20+ site, N+0.20+ is bonded in a water-like geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.68 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.20+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two N+0.20+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OF2 by Materials Project

OF2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four oxygen difluoride molecules. O is bonded in a water-like geometry to two equivalent F atoms. Both O–F bond lengths are 1.43 Å. F is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on CSN2 by Materials Project

CN2S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two amino-isothiocyanate molecules. C4+ is bonded in a linear geometry to one N1- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.57 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted linear geometry to one C4+ and one N1- atom. The N–N bond length is 1.20 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one N1- atom. S2- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3S by Materials Project

SH3 is High-temperature superconductor structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two SH3 frameworks. H+0.33+ is bonded in a linear geometry to two equivalent S1- atoms. Both H–S bond lengths are 1.82 Å. S1- is bonded to six equivalent H+0.33+ atoms to form corner-sharing SH6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrN2 by Materials Project

CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiOF2 by Materials Project

TiOF2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti4+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ti–O bond lengths are 1.85 Å. All Ti–F bond lengths are 1.97 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. F1- is bonded in a linear geometry to two equivalent Ti4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu23PdN8 by Materials Project

PdCu23N8 is High-temperature superconductor-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 2.04 Å. There are fifteen inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the second Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the third Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fourth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fifth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the sixth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the seventh Cu site, Cu is bonded in a linear geometry to two N atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu–N bond length. In the eighth Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.93 Å. In the ninth Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.93 Å. In the tenth Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.83 Å. In the eleventh Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the twelfth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the thirteenth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fourteenth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fifteenth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. There are three inequivalent N sites. In the first N site, N is bonded to one Pd and five Cu atoms to form corner-sharing NCu5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu11PdN4 by Materials Project

PdCu11N4 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 1.96 Å. There are eight inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.96 Å. In the second Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the third Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fourth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fifth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the sixth Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.96 Å. In the seventh Cu site, Cu is bonded in a linear geometry to two N atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu–N bond length. In the eighth Cu site, Cu is bonded in a linear geometry to two N atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu–N bond length. There are three inequivalent N sites. In the first N site, N is bonded to two equivalent Pd and four Cu atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on C3NClO by Materials Project

C3NOCl is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four C3NOCl clusters. there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.19 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.41 Å. N3- is bonded in a 4-coordinate geometry to two equivalent C2+, one O2-, and one Cl1- atom. The N–O bond length is 3.17 Å. The N–Cl bond length is 1.94 Å. O2- is bonded in a single-bond geometry to one C2+ and one N3- atom. Cl1- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgBrCl by Materials Project

HgClBr is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four bromo(chloro)mercury molecules. Hg2+ is bonded in a linear geometry to one Br1- and one Cl1- atom. The Hg–Br bond length is 2.44 Å. The Hg–Cl bond length is 2.33 Å. Br1- is bonded in a single-bond geometry to one Hg2+ atom. Cl1- is bonded in a single-bond geometry to one Hg2+ atom.

36 MATERIALS SCIENCE↗