cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753274
title: Materials Data on CsTi2Cl7 by Materials Project

description: CsTi2Cl7 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with two equivalent CsCl12 cuboctahedra, corners with six equivalent TiCl6 octahedra, edges with four equivalent CsCl12 cuboctahedra, edges with four equivalent TiCl6 octahedra, and faces with two equivalent TiCl6 octahedra. The corner-sharing octahedra tilt angles range from 25–49°. There are a spread of Cs–Cl bond distances ranging from 3.71–3.91 Å. Ti3+ is bonded to six Cl1- atoms to form TiCl6 octahedra that share corners with three equivalent CsCl12 cuboctahedra, a cornercorner with one TiCl6 octahedra, edges with two equivalent CsCl12 cuboctahedra, edges with two equivalent TiCl6 octahedra, and a faceface with one CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ti–Cl bond distances ranging from 2.28–2.51 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Ti3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two equivalent Ti3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Cs1+ and two equivalent Ti3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Cs1+ and two equivalent Ti3+ atoms.
DOI: 10.17188/1753275
title: Materials Data on KNp(CO3)2 by Materials Project

description: KNp(CO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KNp(CO3)2 sheets oriented in the (1, 0, 0) direction. K1+ is bonded to six O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.88 Å) and two longer (2.90 Å) K–O bond lengths. Np3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.84 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Np3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom.
DOI: 10.17188/1753276
title: Materials Data on Lu(MnSn)6 by Materials Project

description: LuMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, six manganese molecules, and one LuSn2 cluster. In the LuSn2 cluster, Lu is bonded in a linear geometry to two equivalent Sn atoms. Both Lu–Sn bond lengths are 3.03 Å. Sn is bonded in a single-bond geometry to one Lu atom.
DOI: 10.17188/1753277
title: Materials Data on Li3CrN2 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: 10.17188/1753278
title: Materials Data on Sm7(BrO6)3 by Materials Project

description: Sm7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one Sm7O18 framework. In the Sm7O18 framework, there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.46 Å. In the second Sm3+ site, Sm3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.76 Å. In the third Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.45 Å) and six longer (2.50 Å) Sm–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one O2- atom. The O–O bond length is 1.47 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one O2- atom. The O–O bond length is 1.49 Å. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sm3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one O2- atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to four Sm3+ and one O2- atom.
DOI: 10.17188/1753279
title: Materials Data on NaCaH6Ir by Materials Project

description: NaCaIrH6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent CaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Na–H bond lengths are 2.56 Å. Ca2+ is bonded to twelve equivalent H1- atoms to form CaH12 cuboctahedra that share corners with twelve equivalent CaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Ca–H bond lengths are 2.56 Å. Ir3+ is bonded to six equivalent H1- atoms to form IrH6 octahedra that share faces with four equivalent NaH12 cuboctahedra and faces with four equivalent CaH12 cuboctahedra. All Ir–H bond lengths are 1.68 Å. H1- is bonded to two equivalent Na1+, two equivalent Ca2+, and one Ir3+ atom to form a mixture of edge, corner, and face-sharing HNa2Ca2Ir square pyramids.
DOI: 10.17188/1753280
title: Materials Data on TbHoIr2 by Materials Project

description: HoTbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ho–Ir bond lengths are 2.97 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.97 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Tb atoms.
DOI: 10.17188/1753281
title: Materials Data on Tl2FeH12(SO7)2 by Materials Project

description: FeTl2H12(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.21 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.86–3.45 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Tl1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+, one Tl1+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+, one Tl1+, and two H1+ atoms.
DOI: 10.17188/1753282
title: Materials Data on LiCaH3 by Materials Project

description: LiCaH3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form corner-sharing LiH6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Li–H bond lengths are 1.85 Å. Ca2+ is bonded in a 9-coordinate geometry to nine equivalent H1- atoms. There are three shorter (2.34 Å) and six longer (2.57 Å) Ca–H bond lengths. H1- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent Ca2+ atoms.
DOI: 10.17188/1753283
title: Materials Data on ReN2 by Materials Project

description: ReN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with four equivalent ReN7 pentagonal bipyramids, corners with three equivalent NRe3N tetrahedra, and edges with seven equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 2.07–2.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Re6+ atoms to form a mixture of edge and corner-sharing NRe4 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN7 pentagonal bipyramids, corners with twelve NRe4 tetrahedra, and edges with three NRe4 tetrahedra. The N–N bond length is 1.40 Å.
DOI: 10.17188/1753284
title: Materials Data on DySnPt by Materials Project

description: DyPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.04 Å) and one longer (3.06 Å) Dy–Pt bond lengths. There are two shorter (3.23 Å) and four longer (3.35 Å) Dy–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four Pt atoms.
DOI: 10.17188/1753285
title: Materials Data on Li4Mn3Cr3(WO8)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: 10.17188/1753286
title: Materials Data on Ta2ReOs by Materials Project

description: Ta2ReOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Os atoms. All Ta–Re bond lengths are 2.77 Å. All Ta–Os bond lengths are 2.77 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1753287
title: Materials Data on CaFeO3 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: 10.17188/1753288
title: Materials Data on MgSb by Materials Project

description: MgSb crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight Sb2- atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. There are a spread of Mg–Sb bond distances ranging from 2.92–3.31 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.97–3.06 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Mg2+ atoms. In the second Sb2- site, Sb2- is bonded to six Mg2+ atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.
DOI: 10.17188/1753289
title: Materials Data on BaTb2Mn2O7 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: 10.17188/1753290
title: Materials Data on HC by Materials Project

description: CH is Cubane-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight methane molecules. C is bonded in a single-bond geometry to one H atom. The C–H bond length is 1.09 Å. H is bonded in a single-bond geometry to one C atom.
DOI: 10.17188/1753291
title: Materials Data on V3O5F3 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: 10.17188/1753292
title: Materials Data on LiMnVP2(HO5)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: 10.17188/1753293
title: Materials Data on Eu2(AlAg)5 by Materials Project

description: Eu2(AgAl)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted hexagonal planar geometry to six Ag and twelve Al atoms. There are two shorter (3.20 Å) and four longer (3.22 Å) Eu–Ag bond lengths. There are four shorter (3.57 Å) and eight longer (3.62 Å) Eu–Al bond lengths. In the second Eu site, Eu is bonded in a 6-coordinate geometry to ten Ag and eight equivalent Al atoms. There are a spread of Eu–Ag bond distances ranging from 3.26–3.57 Å. All Eu–Al bond lengths are 3.61 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three Eu, two equivalent Ag, and four equivalent Al atoms. Both Ag–Ag bond lengths are 2.84 Å. All Ag–Al bond lengths are 2.75 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to three Eu and six Al atoms. There are four shorter (2.78 Å) and two longer (2.79 Å) Ag–Al bond lengths. In the third Ag site, Ag is bonded to four equivalent Eu, four equivalent Ag, and four equivalent Al atoms to form distorted AgEu4Al4Ag4 cuboctahedra that share corners with four equivalent AgEu4Al4Ag4 cuboctahedra, corners with four equivalent AlEu4Al4Ag4 cuboctahedra, edges with two equivalent AgEu4Al4Ag4 cuboctahedra, and faces with two equivalent AgEu4Al4Ag4 cuboctahedra. All Ag–Al bond lengths are 2.81 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Eu, four equivalent Ag, and four equivalent Al atoms to form distorted AlEu4Al4Ag4 cuboctahedra that share corners with four equivalent AgEu4Al4Ag4 cuboctahedra, corners with four equivalent AlEu4Al4Ag4 cuboctahedra, edges with two equivalent AlEu4Al4Ag4 cuboctahedra, and faces with two equivalent AlEu4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Eu, five Ag, and three Al atoms. There are one shorter (2.76 Å) and one longer (2.77 Å) Al–Al bond lengths.
DOI: 10.17188/1753294
title: Materials Data on Rb2LiPrBr6 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: 10.17188/1753295
title: Materials Data on V2O3F2 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: 10.5519/qd.pluvx2gf
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5519/qd.3z6jh3m7
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5519/qd.6kjdk8hm
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5519/qd.z7edpvk1
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5519/qd.z4w04fv2
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.8011442
title: IODP Expedition 369 Photomicrographs

description: Microscopic images of discrete samples were acquired using stereo and upright light microscopes and captured on digital cameras. Image files were uploaded along with a brief description and a record of the microscopic and lighting conditions when the image was taken.
DOI: 10.5281/zenodo.8011441
title: IODP Expedition 369 Photomicrographs

description: Microscopic images of discrete samples were acquired using stereo and upright light microscopes and captured on digital cameras. Image files were uploaded along with a brief description and a record of the microscopic and lighting conditions when the image was taken.
DOI: 10.5281/zenodo.8012002
title: IODP Expedition 369 Natural gamma radiation

description: Natural gamma radiation (NGR) data in the ~0.1 to 3.0 MeV range were measured using eight custom-designed sodium iodide (thallium) [NaI(Tl)] detectors arranged along the core measurement axis at 20 cm intervals. The NGR system uses layers of passive shielding (lead) and active shielding (plastic scintillators and coincidence electronics) to reduce the cosmic-ray signal for low-count analysis of sediment core sections and to obtain the maximum signal-to-noise ratio. Data are reported on a total counts per second basis and the raw spectral files are available as compressed files for later analysis.
DOI: 10.5281/zenodo.8012001
title: IODP Expedition 369 Natural gamma radiation

description: Natural gamma radiation (NGR) data in the ~0.1 to 3.0 MeV range were measured using eight custom-designed sodium iodide (thallium) [NaI(Tl)] detectors arranged along the core measurement axis at 20 cm intervals. The NGR system uses layers of passive shielding (lead) and active shielding (plastic scintillators and coincidence electronics) to reduce the cosmic-ray signal for low-count analysis of sediment core sections and to obtain the maximum signal-to-noise ratio. Data are reported on a total counts per second basis and the raw spectral files are available as compressed files for later analysis.
DOI: 10.6084/m9.figshare.23304689
title: <strong>Effects of N-carbamylglutamate supplementation on hepatic transcriptome of layers and its potential to be used in producing functional eggs</strong>

description: NCG has the potential to be used as an exogenous additive for producing functional eggs, which could enhance the economic value of eggs.
DOI: 10.6084/m9.figshare.23304689.v1
title: <strong>Effects of N-carbamylglutamate supplementation on hepatic transcriptome of layers and its potential to be used in producing functional eggs</strong>

description: NCG has the potential to be used as an exogenous additive for producing functional eggs, which could enhance the economic value of eggs.
DOI: 10.26179/k5gb-vw20
title: Rock texture descriptions of rocks from Heard Island, collected from 1986-2004
DOI: 10.6084/m9.figshare.23304713
title: Partial re-analysis of upper respiratory tract microbiome of COVID-19 positive patient reveals diverse microbial species

description: Understanding the microbiome of the respiratory tract of COVID-19 positive patient is important for identifying any possible microbial co-infectant of the disease that can result in severe disease. With this aim in mind, this study undertook a partial re-analysis of a metagenomics dataset from European Nucleotide Archive for the upper respiratory tract microbiome of a COVID-19 positive patient. Preliminary results reveal a disturbing diverse microbiota where BLAST search of 100 reads lead to confirmatory identification of 22 microbial species. Such data suggests that SARS-CoV-2 is capable of causing significant damage to the lung epithelial cells that likely results in cell lysis. Exudates of the cellular cytoplasmic content thereafter provide sufficient nutrients for the growth of multiple types of microbial species common in the air breathe in. Overall, analysis of the metagenome of upper respiratory tract of COVID-19 positive patient provides valuable insights into the pathological potential of SARS-CoV-2 in causing lung epithelium damage that releases cytoplasmic content that fuelled the outgrowth of microbial species in air breathe in by the patient.
DOI: 10.6084/m9.figshare.23304713.v1
title: Partial re-analysis of upper respiratory tract microbiome of COVID-19 positive patient reveals diverse microbial species

description: Understanding the microbiome of the respiratory tract of COVID-19 positive patient is important for identifying any possible microbial co-infectant of the disease that can result in severe disease. With this aim in mind, this study undertook a partial re-analysis of a metagenomics dataset from European Nucleotide Archive for the upper respiratory tract microbiome of a COVID-19 positive patient. Preliminary results reveal a disturbing diverse microbiota where BLAST search of 100 reads lead to confirmatory identification of 22 microbial species. Such data suggests that SARS-CoV-2 is capable of causing significant damage to the lung epithelial cells that likely results in cell lysis. Exudates of the cellular cytoplasmic content thereafter provide sufficient nutrients for the growth of multiple types of microbial species common in the air breathe in. Overall, analysis of the metagenome of upper respiratory tract of COVID-19 positive patient provides valuable insights into the pathological potential of SARS-CoV-2 in causing lung epithelium damage that releases cytoplasmic content that fuelled the outgrowth of microbial species in air breathe in by the patient.
DOI: 10.5281/zenodo.7896318
title: Food4Me - personalised nutrition European 9 countries public acceptance survey - Dataset from WP2

description: This data set consists of a large cross-country survey conducted for the EU funded project Food4Me in 2013. It contains determinants for consumer acceptance and intention to use of personalized nutrition advices based on different levels of specificity and personality of data –self-reported intake, blood analysis and DNA based analysis of optimal nutrition patterns. Data are provided in SPSS and interoperable .CSV format. Surveys and metainformation are added in interoperable .RTF format. The underlying survey is present in 8 languages English, German, Spanish, Norwegian, Dutch, Portuguese, Greek and Polish. Used scales are sourced to the originals in the description file.