cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1266608
title: Materials Data on Rb2Mo9Se10 by Materials Project

description: Rb2Mo9Se10 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.65–4.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.61–3.89 Å. There are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.71 Å. In the second Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.60–2.72 Å. In the third Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to one Rb1+ and three equivalent Mo2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Rb1+ and four Mo2+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to two Rb1+ and four Mo2+ atoms. In the fourth Se2- site, Se2- is bonded in a 7-coordinate geometry to three Rb1+ and four Mo2+ atoms.
DOI: 10.17188/1266609
title: Materials Data on P4S9 by Materials Project

description: P4S9 is black P structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4S9 clusters. there are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.13 Å. In the second P+4.50+ site, P+4.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.12 Å. In the third P+4.50+ site, P+4.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.92–2.12 Å. In the fourth P+4.50+ site, P+4.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.12 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the sixth S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the seventh S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the eighth S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the ninth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms.
DOI: 10.17188/1266610
title: Materials Data on GdNi by Materials Project

description: GdNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.90–3.01 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Gd and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.60 Å.
DOI: 10.17188/1266611
title: Materials Data on GdCo2 by Materials Project

description: GdCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Gd–Co bond lengths are 3.00 Å. Co is bonded to six equivalent Gd and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoGd6Co6 cuboctahedra. All Co–Co bond lengths are 2.56 Å.
DOI: 10.17188/1266612
title: Materials Data on Ta2Te3 by Materials Project

description: Ta2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta2Te3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded to six Te2- atoms to form distorted TaTe6 pentagonal pyramids that share a cornercorner with one TaTe5 trigonal bipyramid, edges with four equivalent TaTe6 pentagonal pyramids, edges with two equivalent TaTe5 trigonal bipyramids, and a faceface with one TaTe6 pentagonal pyramid. There are two shorter (2.81 Å) and four longer (2.90 Å) Ta–Te bond lengths. In the second Ta3+ site, Ta3+ is bonded to five Te2- atoms to form distorted TaTe5 trigonal bipyramids that share a cornercorner with one TaTe6 pentagonal pyramid, edges with two equivalent TaTe6 pentagonal pyramids, and edges with four equivalent TaTe5 trigonal bipyramids. There are four shorter (2.81 Å) and one longer (2.89 Å) Ta–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Ta3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ta3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Ta3+ atoms.
DOI: 10.17188/1266613
title: Materials Data on SeN by Materials Project

description: NSe is red selenium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NSe clusters. there are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. Both N–Se bond lengths are 1.81 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. There are four inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the second Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the third Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the fourth Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms.
DOI: 10.17188/1266614
title: Materials Data on K2B2Se7 by Materials Project

description: K2B2Se7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Se+1.14- atoms. There are a spread of K–Se bond distances ranging from 3.40–3.86 Å. B3+ is bonded to four Se+1.14- atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.05–2.08 Å. There are four inequivalent Se+1.14- sites. In the first Se+1.14- site, Se+1.14- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent B3+ atoms. In the second Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent K1+ and one B3+ atom. In the third Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to two equivalent K1+ and one B3+ atom. In the fourth Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent K1+ and one B3+ atom.
DOI: 10.17188/1266615
title: Materials Data on K2Mn(PS3)2 by Materials Project

description: K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.
DOI: 10.17188/1266616
title: Materials Data on GePt by Materials Project

description: PtGe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pt2- is bonded in a 6-coordinate geometry to six equivalent Ge2+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.70 Å. Ge2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms.
DOI: 10.17188/1266617
title: Materials Data on KSbSe2 by Materials Project

description: KSbSe2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.31–3.97 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.29–3.91 Å. In the third K1+ site, K1+ is bonded to seven Se2- atoms to form distorted corner-sharing KSe7 pentagonal bipyramids. There are a spread of K–Se bond distances ranging from 3.38–3.75 Å. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.34–3.83 Å. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.60–3.00 Å. In the second Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.60–3.02 Å. In the third Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.60–3.01 Å. In the fourth Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.60–3.03 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four K1+ and two Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+ and two Sb3+ atoms. In the third Se2- site, Se2- is bonded to three K1+ and two Sb3+ atoms to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded to three K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+ and two Sb3+ atoms. In the sixth Se2- site, Se2- is bonded to three K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the seventh Se2- site, Se2- is bonded to three K1+ and two Sb3+ atoms to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the eighth Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+ and two Sb3+ atoms.
DOI: 10.17188/1266618
title: Materials Data on Zn2In2S5 by Materials Project

description: Zn2In2S5 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Zn2In2S5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.35 Å) and one longer (2.57 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent InS6 octahedra, corners with three equivalent InS4 tetrahedra, and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are one shorter (2.25 Å) and three longer (2.42 Å) Zn–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with six ZnS4 tetrahedra and edges with six equivalent InS6 octahedra. There are three shorter (2.61 Å) and three longer (2.72 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with three equivalent ZnS4 tetrahedra and corners with six equivalent InS4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.50 Å) In–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In3+ atoms. In the fourth S2- site, S2- is bonded to one Zn2+ and three equivalent In3+ atoms to form distorted corner-sharing SZnIn3 tetrahedra. In the fifth S2- site, S2- is bonded to three equivalent Zn2+ and one In3+ atom to form corner-sharing SZn3In tetrahedra.
DOI: 10.6084/m9.figshare.13664546
title: Data from: Phenology in freshwaters: a review and recommendations for future research

description: Phenology changes are increasingly recognized as a common response of species to ongoing global change. Phenology can be influenced by environmental cues that impact the initiation or duration of life history events as well as intrinsic organismal traits that may affect how different species respond to such environmental cues. Despite the importance of phenology for biodiversity conservation as demonstrated by terrestrial and marine research, freshwater phenology is understudied. Therefore, we conducted a literature review on freshwater phenology research to summarize the spatial, taxonomic, and temporal biases of studies; as well as relationships between phenology metrics, environmental cues, and intrinsic species traits studied in these systems. We find that phenology research in freshwaters may be limited by a lack of long-term time-series data, especially in lotic habitats. Phenology metrics studied differed between lotic and lentic habitats, with limnological research focused on planktonic population growth whereas macroinvertebrate emergence and fish spawning seasons are the most frequently studied aspects of phenology in streams and rivers. Across habitats, temperature is the most investigated environmental cue, with additional research attention to resources and hydrology in influencing phenology events in lentic and lotic environments, respectively. Knowledge gaps in contemporary freshwater phenology research include relationships between phenology and environmental cues in tropical systems, understanding of non-salmonid fish phenology, and testing hypotheses related to intrinsic traits. We recommend that future research broaden the biological, spatial and temporal scales of phenology studies in these systems, and make use of novel data sources, methods, and technologies to address contemporary research gaps.
DOI: 10.17188/1266619
title: Materials Data on RbIn3S5 by Materials Project

description: RbIn3S5 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.64–3.82 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.53–3.75 Å. There are five inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are a spread of In–S bond distances ranging from 2.63–2.66 Å. In the second In3+ site, In3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are four shorter (2.65 Å) and two longer (2.69 Å) In–S bond lengths. In the third In3+ site, In3+ is bonded to six S2- atoms to form distorted InS6 octahedra that share a cornercorner with one InS6 octahedra, corners with two equivalent InS4 tetrahedra, and edges with six InS6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of In–S bond distances ranging from 2.57–3.08 Å. In the fourth In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four InS6 octahedra and corners with two equivalent InS4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–68°. There are a spread of In–S bond distances ranging from 2.48–2.53 Å. In the fifth In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three InS6 octahedra, corners with two equivalent InS4 tetrahedra, and edges with seven InS6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of In–S bond distances ranging from 2.56–2.88 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Rb1+ and four In3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three In3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three In3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three In3+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three In3+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to four equivalent Rb1+ and two equivalent In3+ atoms. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and four In3+ atoms. In the eighth S2- site, S2- is bonded to six In3+ atoms to form edge-sharing SIn6 octahedra.
DOI: 10.6084/m9.figshare.13664546.v2
title: Data from: Phenology in freshwaters: a review and recommendations for future research

description: Phenology changes are increasingly recognized as a common response of species to ongoing global change. Phenology can be influenced by environmental cues that impact the initiation or duration of life history events as well as intrinsic organismal traits that may affect how different species respond to such environmental cues. Despite the importance of phenology for biodiversity conservation as demonstrated by terrestrial and marine research, freshwater phenology is understudied. Therefore, we conducted a literature review on freshwater phenology research to summarize the spatial, taxonomic, and temporal biases of studies; as well as relationships between phenology metrics, environmental cues, and intrinsic species traits studied in these systems. We find that phenology research in freshwaters may be limited by a lack of long-term time-series data, especially in lotic habitats. Phenology metrics studied differed between lotic and lentic habitats, with limnological research focused on planktonic population growth whereas macroinvertebrate emergence and fish spawning seasons are the most frequently studied aspects of phenology in streams and rivers. Across habitats, temperature is the most investigated environmental cue, with additional research attention to resources and hydrology in influencing phenology events in lentic and lotic environments, respectively. Knowledge gaps in contemporary freshwater phenology research include relationships between phenology and environmental cues in tropical systems, understanding of non-salmonid fish phenology, and testing hypotheses related to intrinsic traits. We recommend that future research broaden the biological, spatial and temporal scales of phenology studies in these systems, and make use of novel data sources, methods, and technologies to address contemporary research gaps.
DOI: 10.6084/m9.figshare.13664546.v1
title: Data from: Phenology in freshwaters: a review and recommendations for future research

description: Phenology changes are increasingly recognized as a common response of species to ongoing global change. Phenology can be influenced by environmental cues that impact the initiation or duration of life history events as well as intrinsic organismal traits that may affect how different species respond to such environmental cues. Despite the importance of phenology for biodiversity conservation as demonstrated by terrestrial and marine research, freshwater phenology is understudied. Therefore, we conducted a literature review on freshwater phenology research to summarize the spatial, taxonomic, and temporal biases of studies; as well as relationships between phenology metrics, environmental cues, and intrinsic species traits studied in these systems. We find that phenology research in freshwaters may be limited by a lack of long-term time-series data, especially in lotic habitats. Phenology metrics studied differed between lotic and lentic habitats, with limnological research focused on planktonic population growth whereas macroinvertebrate emergence and fish spawning seasons are the most frequently studied aspects of phenology in streams and rivers. Across habitats, temperature is the most investigated environmental cue, with additional research attention to resources and hydrology in influencing phenology events in lentic and lotic environments, respectively. Knowledge gaps in contemporary freshwater phenology research include relationships between phenology and environmental cues in tropical systems, understanding of non-salmonid fish phenology, and testing hypotheses related to intrinsic traits. We recommend that future research broaden the biological, spatial and temporal scales of phenology studies in these systems, and make use of novel data sources, methods, and technologies to address contemporary research gaps.