cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1738630
title: Materials Data on Ba2Cu(C3O8)2 by Materials Project

description: Ba2Cu(C3O8)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ba2Cu(C3O8)2 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 2-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.54–3.46 Å. In the second Ba site, Ba is bonded in a 2-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.54–3.45 Å. Cu is bonded in a linear geometry to two O atoms. Both Cu–O bond lengths are 1.69 Å. There are four inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. The O–C bond length is 1.17 Å. In the third O site, O is bonded in a single-bond geometry to one Ba and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one Ba and one C atom. The O–C bond length is 1.18 Å. In the fifth O site, O is bonded in a single-bond geometry to one Ba and one C atom. In the sixth O site, O is bonded in a single-bond geometry to one Ba and one C atom. The O–C bond length is 1.18 Å. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a single-bond geometry to one C atom. The O–C bond length is 1.17 Å. In the ninth O site, O is bonded in a 1-coordinate geometry to two Ba and one C atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two Ba and one C atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Ba and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Ba and one C atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one Ba and one Cu atom. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to one Ba and one Cu atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to two Ba and one C atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to two Ba and one C atom.
DOI: 10.17188/1738631
title: Materials Data on V3(O2F)2 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: 10.17188/1738633
title: Materials Data on Li5Fe3(NiO5)2 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: 10.17188/1738634
title: Materials Data on Na(Nb3Te4)2 by Materials Project

description: Na(Nb3Te4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent Te2- atoms. All Na–Te bond lengths are 3.43 Å. Nb+2.50+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Nb–Te bond distances ranging from 2.81–3.04 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to one Na1+ and four equivalent Nb+2.50+ atoms.
DOI: 10.17188/1738635
title: Materials Data on Tm3(GeRh)2 by Materials Project

description: Tm3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (2.99 Å) and two longer (3.02 Å) Tm–Rh bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.96–3.28 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Tm–Rh bond distances ranging from 2.87–3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.96–3.33 Å. Rh is bonded in a 9-coordinate geometry to six Tm and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.53–2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Tm and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Tm and four equivalent Rh atoms.
DOI: 10.17188/1738637
title: Materials Data on Eu2Fe2O5 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: 10.17188/1738638
title: Materials Data on CNCl by Materials Project

description: CNCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CNCl sheet oriented in the (0, 0, 1) direction. C4+ is bonded in a single-bond geometry to one N3- and four equivalent Cl1- atoms. The C–N bond length is 1.18 Å. All C–Cl bond lengths are 2.55 Å. N3- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent C4+ atoms.
DOI: 10.17188/1738639
title: Materials Data on LiCl by Materials Project

description: LiCl is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Cl1- atoms to form corner-sharing LiCl4 tetrahedra. All Li–Cl bond lengths are 2.40 Å. Cl1- is bonded to four equivalent Li1+ atoms to form corner-sharing ClLi4 tetrahedra.
DOI: 10.17188/1738640
title: Materials Data on Fe3(OF2)2 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: 10.17188/1738641
title: Materials Data on CrN2 by Materials Project

description: CrN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.74–1.80 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.71–1.80 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.73–1.78 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.75–1.77 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the seventh N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the eighth N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms.
DOI: 10.17188/1738642
title: Materials Data on ErCdAu by Materials Project

description: ErAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.06 Å) and one longer (3.18 Å) Er–Au bond lengths. There are two shorter (3.21 Å) and four longer (3.38 Å) Er–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Cd atoms. All Au–Cd bond lengths are 2.83 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Cd atoms. All Au–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Er and four Au atoms.
DOI: 10.17188/1738643
title: Materials Data on Li8(CoO2)5 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: 10.17188/1738644
title: Materials Data on Cs2TaAuF6 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: 10.17188/1738645
title: Materials Data on AlC3NCl3 by Materials Project

description: C3NAlCl3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 1-azabicyclo(1.1.0)butane molecules and two aluminum trichloride molecules.
DOI: 10.17188/1738646
title: Materials Data on Lu(Al2Cu)4 by Materials Project

description: Lu(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Lu–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Lu–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Cu, and four equivalent Al atoms.
DOI: 10.17188/1738647
title: Materials Data on NaHoO2 by Materials Project

description: NaHoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent HoO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na–O bond lengths are 2.54 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ho–O bond lengths are 2.29 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1738648
title: Materials Data on LiCr(SiO3)2 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: 10.17188/1738649
title: Materials Data on Li2MnCo3O8 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: 10.17188/1738650
title: Materials Data on MnReB2 by Materials Project

description: ReMnB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Re4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.35 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.18–2.45 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Re4+, three equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Re4+, four equivalent Mn2+, and two equivalent B3- atoms.
DOI: 10.17188/1738651
title: Materials Data on RbLa(WO4)2 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: 10.6073/pasta/92f41ba80402a47290db132d7902dfe2
title: Synthesis of Sea level rise and carbon accumulation rates in United States tidal wetlands

description: Coastal wetlands accumulate soil carbon more efficiently than terrestrial systems, but sea level rise potentially threatens the persistence of this prominent carbon sink. Here, we combine a published dataset of 372 soil carbon accumulation rates from across the United States with new analysis of 131 sites in coastal Louisiana. The combined database featured 503 measurements of carbon accumulation, spanning broad gradients in mean annual temperature, tide range, and dominant vegetation.
DOI: 10.17188/1738654
title: Materials Data on Tb2WO6 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: 10.17188/1738656
title: Materials Data on BaIn2(P2O7)2 by Materials Project

description: BaIn2P4O14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.85–3.17 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.13–2.22 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.14–2.18 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three InO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three InO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–50°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one In3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one In3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1738657
title: Materials Data on Sr2NbCoO6 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: 10.17188/1738658
title: Materials Data on DyFeNi4 by Materials Project

description: DyFeNi4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to three equivalent Fe and fifteen Ni atoms. All Dy–Fe bond lengths are 2.85 Å. There are three shorter (2.85 Å) and twelve longer (3.15 Å) Dy–Ni bond lengths. Fe is bonded to three equivalent Dy and nine Ni atoms to form distorted FeDy3Ni9 cuboctahedra that share corners with twenty-one NiDy3Fe3Ni6 cuboctahedra, edges with six equivalent FeDy3Ni9 cuboctahedra, faces with two equivalent FeDy3Ni9 cuboctahedra, and faces with twenty-one NiDy3Fe3Ni6 cuboctahedra. There are six shorter (2.43 Å) and three longer (2.85 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Dy, three equivalent Fe, and six equivalent Ni atoms to form distorted NiDy3Fe3Ni6 cuboctahedra that share corners with nine equivalent FeDy3Ni9 cuboctahedra, corners with twelve equivalent NiDy4Fe2Ni6 cuboctahedra, edges with six equivalent NiDy3Fe3Ni6 cuboctahedra, faces with three equivalent FeDy3Ni9 cuboctahedra, and faces with twenty NiDy3Fe3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. In the second Ni site, Ni is bonded to four equivalent Dy, two equivalent Fe, and six Ni atoms to form NiDy4Fe2Ni6 cuboctahedra that share corners with four equivalent FeDy3Ni9 cuboctahedra, corners with twenty NiDy3Fe3Ni6 cuboctahedra, edges with ten equivalent NiDy4Fe2Ni6 cuboctahedra, faces with six equivalent FeDy3Ni9 cuboctahedra, and faces with sixteen NiDy3Fe3Ni6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.47 Å) Ni–Ni bond lengths.
DOI: 10.17188/1738659
title: Materials Data on Cs2MnO4 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: 10.17188/1738660
title: Materials Data on Nb2VOs by Materials Project

description: Nb2VOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2VOs ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one V and one Os atom. The Nb–V bond length is 2.16 Å. The Nb–Os bond length is 2.27 Å. V is bonded in a linear geometry to two equivalent Nb atoms. Os is bonded in a linear geometry to two equivalent Nb atoms.
DOI: 10.17188/1738661
title: Materials Data on LiNi2(PO4)3 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: 10.17188/1738662
title: Materials Data on Se2NO6 by Materials Project

description: N2(SeO3)4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonia molecules and eight SeO3 clusters. In each SeO3 cluster, Se is bonded in a trigonal planar geometry to three O atoms. All Se–O bond lengths are 1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a single-bond geometry to one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom.
DOI: 10.13145/bacdive138363.20201210.5
title: Salmonella enterica

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138364.20201210.5
title: Klebsiella pneumoniae

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138365.20201210.5
title: Citrobacter sedlakii

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138366.20201210.5
title: Lysinibacillus sphaericus

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138367.20201210.5
title: Acinetobacter baumannii

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138368.20201210.5
title: Lysinibacillus fusiformis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138369.20201210.5
title: Pseudomonas aeruginosa

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138370.20201210.5
title: Acinetobacter baumannii

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138371.20201210.5
title: Streptococcus pyogenes

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138372.20201210.5
title: Streptococcus pyogenes

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138373.20201210.5
title: Clostridium perfringens

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive138374.20201210.5
title: Clostridium perfringens

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.