cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187661
title: Materials Data on ScAg by Materials Project

description: AgSc is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Sc–Ag bond lengths are 2.98 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1187662
title: Materials Data on ZrAg by Materials Project

description: AgZr is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two AgZr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 10-coordinate geometry to four equivalent Ag atoms. All Zr–Ag bond lengths are 2.96 Å. Ag is bonded in a 10-coordinate geometry to four equivalent Zr atoms.
DOI: 10.6084/m9.figshare.1434640.v1
title: Scientific Data recommended repositories_June 2015

description: Excel spreadsheet listing data repositories that are recommended by the open access data journal from Nature Publishing Group, Scientific Data, as being suitable for hosting data associated with peer-reviewed articles, as of June 2015. Please see the repository list on ScientificData's website for repositories added since June 2015.
DOI: 10.17188/1187663
title: Materials Data on MgZn2 by Materials Project

description: MgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Zn atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.03–3.08 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Mg and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the second Zn site, Zn is bonded to six equivalent Mg and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Zn–Zn bond lengths.
DOI: 10.17188/1187664
title: Materials Data on DyAu by Materials Project

description: AuDy is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Dy–Au bond lengths are 3.12 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1187665
title: Materials Data on DyAu2 by Materials Project

description: Au2Dy crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are two shorter (3.04 Å) and eight longer (3.05 Å) Dy–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Dy atoms.
DOI: 10.17188/1187666
title: Materials Data on DyPbAu by Materials Project

description: DyAuPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded to four equivalent Au and six equivalent Pb atoms to form a mixture of distorted face and corner-sharing DyPb6Au4 tetrahedra. All Dy–Au bond lengths are 2.97 Å. All Dy–Pb bond lengths are 3.42 Å. Au is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pb atoms. All Au–Pb bond lengths are 2.97 Å. Pb is bonded in a distorted q6 geometry to six equivalent Dy and four equivalent Au atoms.
DOI: 10.17188/1187667
title: Materials Data on ErAu by Materials Project

description: ErAu is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Er–Au bond distances ranging from 2.96–3.10 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Er atoms.
DOI: 10.5281/zenodo.4475691
title: Repository of Results, Deliverable 2.1 H2020 4RinEU Project

description: The files reported here form the repository of results provided by a parametric study performed within the Deliverable 2.1 "Geo-clusters and Building Archetypes" of the European H2020 4RinEU Project (https://4rineu.eu/). The repository provides, for the four building typologies in the six geo-clusters considered in 4RinEU, results in the following KPIs thematic area: energy, comfort and environment; besides, economic issues and building site management are implemented in another repository included in Project Deliverable D4.2. The repository consists of four Excel files, one per each building typology: Apartment Block, Multi-Family House, Single Family House, Terraced House. Each row of the file corresponds to one simulation. 1734 simulations are collected per each building typology (289 simulations per each of the 6 geo-cluster, including the PRE-RETROFIT scenario). The use of the repository allows the comparison between different renovation scenarios and it is the starting point for a preliminary analysis on the renovation in the design phase. For more details on the repository structure and 4RinEU Project in general, please visit https://4rineu.eu/reports/
DOI: 10.6084/m9.figshare.1434640.v2
title: Scientific Data recommended repositories_June 2015

description: Spreadsheet listing data repositories that are recommended by the open access data journal from Nature Publishing Group, Scientific Data, as being suitable for hosting data associated with peer-reviewed articles, as of June 2015. Please see the repository list on ScientificData's website for repositories added since June 2015.
DOI: 10.17188/1187668
title: Materials Data on HoAu by Materials Project

description: HoAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ho–Au bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.5281/zenodo.4475690
title: Repository of Results, Deliverable 2.1 H2020 4RinEU Project

description: The files reported here form the repository of results provided by a parametric study performed within the Deliverable 2.1 "Geo-clusters and Building Archetypes" of the European H2020 4RinEU Project (https://4rineu.eu/). The repository provides, for the four building typologies in the six geo-clusters considered in 4RinEU, results in the following KPIs thematic area: energy, comfort and environment; besides, economic issues and building site management are implemented in another repository included in Project Deliverable D4.2. The repository consists of four Excel files, one per each building typology: Apartment Block, Multi-Family House, Single Family House, Terraced House. Each row of the file corresponds to one simulation. 1734 simulations are collected per each building typology (289 simulations per each of the 6 geo-cluster, including the PRE-RETROFIT scenario). The use of the repository allows the comparison between different renovation scenarios and it is the starting point for a preliminary analysis on the renovation in the design phase. For more details on the repository structure and 4RinEU Project in general, please visit https://4rineu.eu/reports/
DOI: 10.17188/1187669
title: Materials Data on Li3Au by Materials Project

description: Li3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Au atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Au4 tetrahedra. All Li–Li bond lengths are 2.73 Å. All Li–Au bond lengths are 2.73 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to eight equivalent Li and six equivalent Au atoms. All Li–Au bond lengths are 3.15 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1187670
title: Materials Data on LiAu3 by Materials Project

description: LiAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of face and corner-sharing LiAu12 cuboctahedra. All Li–Au bond lengths are 2.88 Å. Au+0.33- is bonded in a distorted square co-planar geometry to four equivalent Li1+ atoms.
DOI: 10.17188/1187671
title: Materials Data on LuAu by Materials Project

description: LuAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Lu–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1187672
title: Materials Data on Li2S by Materials Project

description: Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.49–2.87 Å. S2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.
DOI: 10.17188/1187673
title: Materials Data on Mg2Au by Materials Project

description: Mg2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are twelve inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.75–3.29 Å. In the second Mg site, Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are a spread of Mg–Au bond distances ranging from 2.74–2.77 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.05 Å. In the fourth Mg site, Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are a spread of Mg–Au bond distances ranging from 2.76–2.81 Å. In the fifth Mg site, Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.75 Å) Mg–Au bond lengths. In the sixth Mg site, Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are a spread of Mg–Au bond distances ranging from 2.74–2.84 Å. In the seventh Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.84–3.04 Å. In the eighth Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.84–3.12 Å. In the ninth Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.16 Å. In the tenth Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.85–3.03 Å. In the eleventh Mg site, Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are two shorter (2.77 Å) and two longer (2.78 Å) Mg–Au bond lengths. In the twelfth Mg site, Mg is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Mg–Au bond distances ranging from 2.87–3.15 Å. There are six inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Au site, Au is bonded in a 9-coordinate geometry to nine Mg atoms. In the third Au site, Au is bonded in a 9-coordinate geometry to nine Mg atoms. In the fourth Au site, Au is bonded in a 10-coordinate geometry to ten Mg atoms. In the fifth Au site, Au is bonded in a 9-coordinate geometry to nine Mg atoms. In the sixth Au site, Au is bonded in a 9-coordinate geometry to nine Mg atoms.
DOI: 10.6084/m9.figshare.1434640.v3
title: Scientific Data recommended repositories_June 2015

description: Spreadsheet listing data repositories that are recommended by the open access data journal from Nature Publishing Group, Scientific Data, as being suitable for hosting data associated with peer-reviewed articles, as of September 2015. Please see the repository list on ScientificData's website for repositories added since September 2015.
DOI: 10.17188/1187674
title: Materials Data on Mg3Au by Materials Project

description: Mg3Au crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg3Au sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Au atoms. All Mg–Au bond lengths are 3.08 Å. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.68 Å. Au is bonded in a 3-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1187675
title: Materials Data on MnAu2 by Materials Project

description: Au2Mn is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (2.79 Å) and two longer (3.02 Å) Mn–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Mn2+ and five equivalent Au1- atoms. There are one shorter (2.84 Å) and four longer (2.89 Å) Au–Au bond lengths.
DOI: 10.17188/1187676
title: Materials Data on NaSnAu by Materials Project

description: NaAuSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 11-coordinate geometry to five equivalent Au and six equivalent Sn atoms. There are a spread of Na–Au bond distances ranging from 3.21–3.31 Å. There are a spread of Na–Sn bond distances ranging from 3.34–3.51 Å. Au is bonded in a 9-coordinate geometry to five equivalent Na and four equivalent Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.77–2.86 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Na and four equivalent Au atoms.
DOI: 10.17188/1187677
title: Materials Data on NdAu by Materials Project

description: NdAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Nd–Au bond lengths are 3.23 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1187678
title: Materials Data on PrAu by Materials Project

description: PrAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pr–Au bond lengths are 3.25 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.6084/m9.figshare.1434640.v4
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by the open access data journal from Nature Publishing Group, Scientific Data, as being suitable for hosting data associated with peer-reviewed articles, as of September 2015. Please see the repository list on ScientificData's website for repositories added since September 2015.
DOI: 10.17188/1187679
title: Materials Data on ScAu by Materials Project

description: AuSc is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sc–Au bond lengths are 2.96 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1187680
title: Materials Data on SmAu by Materials Project

description: AuSm is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.19 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1187681
title: Materials Data on TbAu by Materials Project

description: AuTb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tb–Au bond lengths are 3.14 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.
DOI: 10.17188/1187682
title: Materials Data on TiAu by Materials Project

description: TiAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ti–Au bond lengths are 2.84 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1187683
title: Materials Data on Ti3Au by Materials Project

description: Ti3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted square co-planar geometry to four equivalent Au atoms. All Ti–Au bond lengths are 2.88 Å. Au is bonded to twelve equivalent Ti atoms to form a mixture of corner and face-sharing AuTi12 cuboctahedra.
DOI: 10.6084/m9.figshare.1434640.v5
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by the open access data journal from Nature Publishing Group, Scientific Data, as being suitable for hosting data associated with peer-reviewed articles, as of September 2015. Please see the repository list on Scientific Data's website for repositories added since December 2015.
DOI: 10.17188/1187684
title: Materials Data on YAu by Materials Project

description: YAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Y–Au bond lengths are 3.13 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1187685
title: Materials Data on YbAu4 by Materials Project

description: YbAu4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent Au+0.50- atoms to form a mixture of edge and face-sharing YbAu12 cuboctahedra. There are eight shorter (3.02 Å) and four longer (3.03 Å) Yb–Au bond lengths. Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Yb2+ atoms.
DOI: 10.17188/1187686
title: Materials Data on Zr3Au by Materials Project

description: AuZr3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Au atoms. Both Zr–Zr bond lengths are 2.77 Å. All Zr–Au bond lengths are 3.10 Å. Au is bonded to twelve equivalent Zr atoms to form a mixture of edge and face-sharing AuZr12 cuboctahedra.
DOI: 10.17188/1187687
title: Materials Data on BaCaSn by Materials Project

description: BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.
DOI: 10.17188/1187688
title: Materials Data on BaCd2 by Materials Project

description: BaCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.62–3.89 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.06–3.20 Å.
DOI: 10.6084/m9.figshare.1434640.v6
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by Scientific Data (Springer Nature) as being suitable for hosting data associated with peer-reviewed articles. Please see the repository list on Scientific Data's website for the most up to date list.
DOI: 10.17188/1187689
title: Materials Data on BaHg2 by Materials Project

description: BaHg2 is hexagonal omega structure structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing BaHg12 cuboctahedra. There are a spread of Ba–Hg bond distances ranging from 3.71–3.73 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Hg atoms. All Hg–Hg bond lengths are 3.02 Å.
DOI: 10.6084/m9.figshare.13656371.v1
title: Data description

description: Description of variables in participant characteristics data
DOI: 10.17188/1187690
title: Materials Data on BaSn3Pd by Materials Project

description: BaPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Sn atoms. There are four shorter (3.90 Å) and one longer (3.99 Å) Ba–Pd bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.65–3.78 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.69 Å) and four longer (2.74 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Sn atoms.
DOI: 10.6084/m9.figshare.13656371
title: Data description

description: Description of variables in participant characteristics data
DOI: 10.17188/1187691
title: Materials Data on SmPt2 by Materials Project

description: SmPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Sm–Pt bond lengths are 3.22 Å. Pt is bonded to six equivalent Sm and six equivalent Pt atoms to form a mixture of edge, face, and corner-sharing PtSm6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.75 Å.
DOI: 10.17188/1187692
title: Materials Data on MnBe2 by Materials Project

description: Be2Mn is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. All Be–Be bond lengths are 2.08 Å. All Be–Mn bond lengths are 2.43 Å. In the second Be site, Be is bonded to six Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. There are two shorter (2.03 Å) and two longer (2.12 Å) Be–Be bond lengths. There are two shorter (2.40 Å) and four longer (2.44 Å) Be–Mn bond lengths. Mn is bonded in a 12-coordinate geometry to twelve Be and four equivalent Mn atoms. There are three shorter (2.53 Å) and one longer (2.56 Å) Mn–Mn bond lengths.