cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743962
title: Materials Data on PbAu2 by Materials Project

description: Au2Pb is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of distorted corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.85–2.93 Å. There are a spread of Au–Pb bond distances ranging from 3.23–3.47 Å. In the second Au1- site, Au1- is bonded in a 11-coordinate geometry to six Au1- and five equivalent Pb2+ atoms. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å. There are a spread of Au–Pb bond distances ranging from 3.20–3.53 Å. In the third Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Pb bond distances ranging from 3.32–3.42 Å. Pb2+ is bonded in a 4-coordinate geometry to eleven Au1- atoms.
DOI: 10.17188/1743963
title: Materials Data on GdCrO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743964
title: Materials Data on CoO by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743965
title: Materials Data on SmYS2 by Materials Project

description: SmYS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded to six equivalent S atoms to form SmS6 octahedra that share corners with six equivalent YS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–S bond lengths are 2.84 Å. Y is bonded to six equivalent S atoms to form YS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Y–S bond lengths are 2.76 Å. S is bonded to three equivalent Sm and three equivalent Y atoms to form a mixture of edge and corner-sharing SSm3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1743966
title: Materials Data on Sr4Ta3PO14 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743967
title: Materials Data on Cs2NaLaCl6 by Materials Project

description: Cs2NaLaCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent LaCl6 octahedra. All Cs–Cl bond lengths are 3.95 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent LaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.80 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.78 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one La3+ atom.
DOI: 10.17188/1743968
title: Materials Data on Li4V3P8O29 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743969
title: Materials Data on Li2O by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743971
title: Materials Data on LiFeF5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743972
title: Materials Data on Al2Fe3(BiO4)3 by Materials Project

description: Fe3Al2(BiO4)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.75–2.10 Å. In the second Fe3+ site, Fe3+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Fe–O bond distances ranging from 1.62–2.60 Å. In the third Fe3+ site, Fe3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Fe–O bond distances ranging from 1.79–2.33 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.82–2.05 Å. In the second Al3+ site, Al3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Al–O bond distances ranging from 1.57–2.55 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.55 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.10–2.81 Å. In the third Bi3+ site, Bi3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.05–2.56 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Al3+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Fe3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Fe3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+, one Al3+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Fe3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+, one Al3+, and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Fe3+ and two Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one Fe3+, two Al3+, and one Bi3+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to one Fe3+ and three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+, two Al3+, and two Bi3+ atoms.
DOI: 10.17188/1743975
title: Materials Data on LiSnN by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743976
title: Materials Data on Pr2(N4O9)3 by Materials Project

description: (Pr2(NO3)9)2(N2)3 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of twelve ammonia molecules and one Pr2(NO3)9 framework. In the Pr2(NO3)9 framework, Pr3+ is bonded to twelve O2- atoms to form corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.61–2.69 Å. There are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom.
DOI: 10.17188/1743978
title: Materials Data on BPBr6 by Materials Project

description: BBr3PBr3 is Ammonia-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four boron tribromide molecules and four phosphorus tribromide molecules.
DOI: 10.17188/1743979
title: Materials Data on Na2GeN2 by Materials Project

description: Na2GeN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are eight inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.32–2.72 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.36–2.83 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.69 Å. In the fourth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.41–2.65 Å. In the fifth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.50–2.64 Å. In the sixth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.25–2.52 Å. In the seventh Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.47–2.53 Å. In the eighth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.39–2.98 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.90–1.97 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There is three shorter (1.91 Å) and one longer (1.92 Å) Ge–N bond length. In the third Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.89–1.94 Å. In the fourth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.90–1.95 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the third N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the fifth N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the sixth N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the seventh N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the eighth N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms.
DOI: 10.17188/1743980
title: Materials Data on CoGeO3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743981
title: Materials Data on CsK2AsCl6 by Materials Project

description: (K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.
DOI: 10.17188/1743982
title: Materials Data on BaZnBO3F by Materials Project

description: BaZnBO3F crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to six equivalent O2- and three equivalent F1- atoms. All Ba–O bond lengths are 2.83 Å. All Ba–F bond lengths are 2.96 Å. Zn2+ is bonded to three equivalent O2- and two equivalent F1- atoms to form corner-sharing ZnO3F2 trigonal bipyramids. All Zn–O bond lengths are 1.98 Å. Both Zn–F bond lengths are 2.18 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one Zn2+, and one B3+ atom. F1- is bonded to three equivalent Ba2+ and two equivalent Zn2+ atoms to form distorted corner-sharing FBa3Zn2 trigonal bipyramids.
DOI: 10.17188/1743983
title: Materials Data on Ba2ZnGe2O7 by Materials Project

description: Ba2ZnGe2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.04 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent ZnO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OBa3Ge tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Zn2+, and one Ge4+ atom.
DOI: 10.17188/1743984
title: Materials Data on Mn3FeAs4 by Materials Project

description: Mn3FeAs4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to six As+2.50- atoms to form distorted MnAs6 octahedra that share corners with four equivalent FeAs6 octahedra, corners with eight equivalent MnAs6 octahedra, edges with six MnAs6 octahedra, and faces with two equivalent FeAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Mn–As bond distances ranging from 2.35–2.52 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to six As+2.50- atoms to form distorted MnAs6 octahedra that share corners with twelve MnAs6 octahedra, edges with two equivalent MnAs6 octahedra, edges with four equivalent FeAs6 octahedra, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Mn–As bond distances ranging from 2.36–2.57 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded to six As+2.50- atoms to form distorted MnAs6 octahedra that share corners with four equivalent MnAs6 octahedra, corners with eight equivalent FeAs6 octahedra, edges with six MnAs6 octahedra, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of Mn–As bond distances ranging from 2.39–2.64 Å. Fe3+ is bonded to six As+2.50- atoms to form distorted FeAs6 octahedra that share corners with twelve MnAs6 octahedra, edges with two equivalent FeAs6 octahedra, edges with four equivalent MnAs6 octahedra, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of Fe–As bond distances ranging from 2.34–2.54 Å. There are four inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded in a 6-coordinate geometry to five Mn+2.33+ and one Fe3+ atom. In the second As+2.50- site, As+2.50- is bonded in a 6-coordinate geometry to five Mn+2.33+ and one Fe3+ atom. In the third As+2.50- site, As+2.50- is bonded in a 6-coordinate geometry to four Mn+2.33+ and two equivalent Fe3+ atoms. In the fourth As+2.50- site, As+2.50- is bonded in a 6-coordinate geometry to four Mn+2.33+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1743985
title: Materials Data on Na3TbV2O8 by Materials Project

description: Na3TbV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one O2- atom. The Na–O bond length is 2.18 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.84 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Tb–O bond lengths are 2.25 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent TbO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.76 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Na1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tb3+, and one V5+ atom.
DOI: 10.17188/1743986
title: Materials Data on Mg3Si4 by Materials Project

description: Mg3Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–2.83 Å. In the second Mg site, Mg is bonded to four Si atoms to form corner-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.64–2.80 Å. In the third Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.62–2.73 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.00 Å. In the fifth Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.11 Å. In the sixth Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.64–2.93 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to two equivalent Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.43 Å. In the second Si site, Si is bonded in a 1-coordinate geometry to three Mg and three Si atoms. The Si–Si bond length is 2.34 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. The Si–Si bond length is 2.39 Å. In the fourth Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. There are one shorter (2.35 Å) and one longer (2.38 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. In the sixth Si site, Si is bonded in a 6-coordinate geometry to two equivalent Mg and four Si atoms. Both Si–Si bond lengths are 2.46 Å. In the seventh Si site, Si is bonded in a 1-coordinate geometry to one Mg and three Si atoms. In the eighth Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms.
DOI: 10.17188/1743987
title: Materials Data on Cs2RbAuBr6 by Materials Project

description: Cs2RbAuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent RbBr6 octahedra, and faces with four equivalent AuBr6 octahedra. All Cs–Br bond lengths are 4.21 Å. Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.27 Å. Au3+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent RbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.67 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Au3+ atom.
DOI: 10.17188/1743988
title: Materials Data on BaSrAg2 by Materials Project

description: BaSrAg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaSrAg2 ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to two equivalent Ag atoms. Both Ba–Ag bond lengths are 3.32 Å. Sr is bonded in a linear geometry to two equivalent Ag atoms. Both Sr–Ag bond lengths are 3.18 Å. Ag is bonded in a linear geometry to one Ba and one Sr atom.