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At least 541 records · Page 30
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DOE OSTI2020

Materials Data on Nd3InN by Materials Project

Nd3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Nd–In bond lengths are 3.56 Å. Both Nd–N bond lengths are 2.52 Å. In is bonded to twelve equivalent Nd atoms to form InNd12 cuboctahedra that share corners with twelve equivalent InNd12 cuboctahedra, faces with six equivalent InNd12 cuboctahedra, and faces with eight equivalent NNd6 octahedra. N is bonded to six equivalent Nd atoms to form NNd6 octahedra that share corners with six equivalent NNd6 octahedra and faces with eight equivalent InNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3InO by Materials Project

Pr3InO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent In and two equivalent O atoms. All Pr–In bond lengths are 3.56 Å. Both Pr–O bond lengths are 2.52 Å. In is bonded to twelve equivalent Pr atoms to form InPr12 cuboctahedra that share corners with twelve equivalent InPr12 cuboctahedra, faces with six equivalent InPr12 cuboctahedra, and faces with eight equivalent OPr6 octahedra. O is bonded to six equivalent Pr atoms to form OPr6 octahedra that share corners with six equivalent OPr6 octahedra and faces with eight equivalent InPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3InN by Materials Project

Ti3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Ti–In bond lengths are 2.97 Å. Both Ti–N bond lengths are 2.10 Å. In is bonded to twelve equivalent Ti atoms to form InTi12 cuboctahedra that share corners with twelve equivalent InTi12 cuboctahedra, faces with six equivalent InTi12 cuboctahedra, and faces with eight equivalent NTi6 octahedra. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent NTi6 octahedra and faces with eight equivalent InTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3IrN by Materials Project

Mn3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Mn–Ir bond lengths are 2.76 Å. Both Mn–N bond lengths are 1.95 Å. Ir is bonded to twelve equivalent Mn atoms to form IrMn12 cuboctahedra that share corners with twelve equivalent IrMn12 cuboctahedra, faces with six equivalent IrMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent IrMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfPbO3 by Materials Project

PbHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.08 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Pb–O bond lengths are 2.94 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3IO by Materials Project

K3OI is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a linear geometry to two equivalent O2- and four equivalent I1- atoms. Both K–O bond lengths are 2.69 Å. All K–I bond lengths are 3.81 Å. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent IK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded to twelve equivalent K1+ atoms to form IK12 cuboctahedra that share corners with twelve equivalent IK12 cuboctahedra, faces with six equivalent IK12 cuboctahedra, and faces with eight equivalent OK6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3InN by Materials Project

Sc3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Sc–In bond lengths are 3.16 Å. Both Sc–N bond lengths are 2.24 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent NSc6 octahedra. N is bonded to six equivalent Sc atoms to form NSc6 octahedra that share corners with six equivalent NSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3InN by Materials Project

Dy3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Dy–In bond lengths are 3.41 Å. Both Dy–N bond lengths are 2.41 Å. In is bonded to twelve equivalent Dy atoms to form InDy12 cuboctahedra that share corners with twelve equivalent InDy12 cuboctahedra, faces with six equivalent InDy12 cuboctahedra, and faces with eight equivalent NDy6 octahedra. N is bonded to six equivalent Dy atoms to form NDy6 octahedra that share corners with six equivalent NDy6 octahedra and faces with eight equivalent InDy12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3InN by Materials Project

Ho3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Ho–In bond lengths are 3.39 Å. Both Ho–N bond lengths are 2.39 Å. In is bonded to twelve equivalent Ho atoms to form InHo12 cuboctahedra that share corners with twelve equivalent InHo12 cuboctahedra, faces with six equivalent InHo12 cuboctahedra, and faces with eight equivalent NHo6 octahedra. N is bonded to six equivalent Ho atoms to form NHo6 octahedra that share corners with six equivalent NHo6 octahedra and faces with eight equivalent InHo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3InN by Materials Project

Er3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Er–In bond lengths are 3.37 Å. Both Er–N bond lengths are 2.38 Å. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with twelve equivalent InEr12 cuboctahedra, faces with six equivalent InEr12 cuboctahedra, and faces with eight equivalent NEr6 octahedra. N is bonded to six equivalent Er atoms to form NEr6 octahedra that share corners with six equivalent NEr6 octahedra and faces with eight equivalent InEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnPbO3 by Materials Project

MnPbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.96 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Pb–O bond lengths are 2.77 Å. O2- is bonded in a linear geometry to two equivalent Mn4+ and four equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3SnN by Materials Project

Mn3SnN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Sn and two equivalent N atoms. All Mn–Sn bond lengths are 2.74 Å. Both Mn–N bond lengths are 1.94 Å. Sn is bonded to twelve equivalent Mn atoms to form SnMn12 cuboctahedra that share corners with twelve equivalent SnMn12 cuboctahedra, faces with six equivalent SnMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent SnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3CuN by Materials Project

Mn3CuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Mn–Cu bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.91 Å. Cu is bonded to twelve equivalent Mn atoms to form CuMn12 cuboctahedra that share corners with twelve equivalent CuMn12 cuboctahedra, faces with six equivalent CuMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent CuMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3SbN by Materials Project

SbNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Sr–Sb bond lengths are 3.69 Å. Both Sr–N bond lengths are 2.61 Å. Sb3- is bonded to twelve equivalent Sr2+ atoms to form SbSr12 cuboctahedra that share corners with twelve equivalent SbSr12 cuboctahedra, faces with six equivalent SbSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent SbSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3RhN by Materials Project

Fe3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Fe–Rh bond lengths are 2.72 Å. Both Fe–N bond lengths are 1.93 Å. Rh is bonded to twelve equivalent Fe atoms to form RhFe12 cuboctahedra that share corners with twelve equivalent RhFe12 cuboctahedra, faces with six equivalent RhFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent RhFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3NiN by Materials Project

Fe3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Fe–Ni bond lengths are 2.67 Å. Both Fe–N bond lengths are 1.89 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent NiFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3PtN by Materials Project

Fe3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Pt and two equivalent N atoms. All Fe–Pt bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pt is bonded to twelve equivalent Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent PtFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3RhN by Materials Project

Mn3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Mn–Rh bond lengths are 2.76 Å. Both Mn–N bond lengths are 1.95 Å. Rh is bonded to twelve equivalent Mn atoms to form RhMn12 cuboctahedra that share corners with twelve equivalent RhMn12 cuboctahedra, faces with six equivalent RhMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent RhMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗