cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1683549
title: Materials Data on V5W3O20 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: 10.17188/1683551
title: Materials Data on Li2CuGe by Materials Project

description: Li2CuGe crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Li2CuGe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded in a single-bond geometry to one Ge atom. The Li–Ge bond length is 2.61 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to three equivalent Cu atoms. All Li–Cu bond lengths are 2.65 Å. Cu is bonded in a 10-coordinate geometry to three equivalent Li and one Ge atom. The Cu–Ge bond length is 2.50 Å. Ge is bonded in a distorted linear geometry to one Li and one Cu atom.
DOI: 10.17188/1683552
title: Materials Data on Mg2Si by Materials Project

description: Mg2Si is Cotunnite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 trigonal pyramids. There are a spread of Mg–Si bond distances ranging from 2.63–2.87 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four equivalent Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.70–2.90 Å. Si4- is bonded in a 8-coordinate geometry to eight Mg2+ atoms.
DOI: 10.17632/z2bsctg67m.2
title: Peripheral Facial Features Guiding Eye Movements and Reducing Fixational Variability

description: Raw eye movement data collected from 13 subjects doing face identification task.
DOI: 10.17188/1683554
title: Materials Data on SiH14(OF)6 by Materials Project

description: SiH14(OF)6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SiH14(OF)6 clusters. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.74 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.36 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 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 distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. 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 0.99 Å. In the seventh H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Si4+ and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1683555
title: Materials Data on K by Materials Project

description: K is alpha structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two potassium molecules and one K framework. In the K framework, there are three inequivalent K sites. In the first K site, K is bonded in a trigonal non-coplanar geometry to three equivalent K atoms. All K–K bond lengths are 4.59 Å. In the second K site, K is bonded in a 6-coordinate geometry to eight K atoms. There are a spread of K–K bond distances ranging from 4.23–4.80 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight K atoms. Both K–K bond lengths are 4.76 Å.
DOI: 10.17188/1683556
title: Materials Data on Li2Hf2O5 by Materials Project

description: Li2Hf2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.52 Å. Hf4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. There are a spread of Hf–O bond distances ranging from 2.02–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Hf4+ atoms to form distorted OLiHf3 trigonal pyramids that share a cornercorner with one OLi4Hf2 octahedra, corners with four equivalent OLiHf3 trigonal pyramids, edges with two equivalent OLi4Hf2 octahedra, and an edgeedge with one OLiHf3 trigonal pyramid. The corner-sharing octahedral tilt angles are 84°. In the third O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Hf4+ atoms to form distorted OLi4Hf2 octahedra that share corners with two equivalent OLiHf3 trigonal pyramids, edges with two equivalent OLi4Hf2 octahedra, and edges with four equivalent OLiHf3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Hf4+ atoms.
DOI: 10.5281/zenodo.4485710
title: Dynamic physiological and transcriptome changes reveal a po-tential relationship between the circadian clock and salt stress response in Ulmus pumila

description: Despite the important role the circadian clock plays in numerous critical physiological responses in plants, such as hypocotyl elongation, leaf movement, stomatal opening, flowering, and stress responses, there have been no investigations into the effect of the circadian clock on physiological and transcriptional networks under salt stress. <em>Ulmus pumila</em> L.—a major tree species used for timber, shelter, food, medicine, fodder, and ecological protection—has been reported to tolerate 100~150 mM NaCl treatment. We performed a time-course physiological and transcriptome analysis of 2-years-old <em>U. pumila</em> seedlings under salt treatment to dissect the physiological regulation and potential relationship between the circadian clock and the salt stress response. Seedlings in 150 mM NaCl treatment exhibited salt-induced physiological enhancement compared to the control group. A total of 7,009 unigenes were identified under salt stress, of which 283 unigenes were identified as circadian rhythm genes and 16 unigenes were differentially expressed (circadian rhythm-related DEGs). Further analysis of dynamic expression changes revealed that DEGs involved in four crucial pathways—photosynthesis, thiamine metabolism, abscisic acid synthesis and metabolism, and the hormone-MAPK signal crosstalk pathway—are closely related to the circadian clock. Finally, we constructed a co-expression network between the circadian clock and these four crucial pathways. Our results help shed light on the molecular link between the circadian clock and salt stress tolerance in <em>U. pumila</em>.
description: salt stress
DOI: 10.17188/1683558
title: Materials Data on Zn(FeO2)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: 10.17188/1683559
title: Materials Data on CsHCO3 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: 10.5281/zenodo.4485709
title: Dynamic physiological and transcriptome changes reveal a po-tential relationship between the circadian clock and salt stress response in Ulmus pumila

description: Despite the important role the circadian clock plays in numerous critical physiological responses in plants, such as hypocotyl elongation, leaf movement, stomatal opening, flowering, and stress responses, there have been no investigations into the effect of the circadian clock on physiological and transcriptional networks under salt stress. <em>Ulmus pumila</em> L.—a major tree species used for timber, shelter, food, medicine, fodder, and ecological protection—has been reported to tolerate 100~150 mM NaCl treatment. We performed a time-course physiological and transcriptome analysis of 2-years-old <em>U. pumila</em> seedlings under salt treatment to dissect the physiological regulation and potential relationship between the circadian clock and the salt stress response. Seedlings in 150 mM NaCl treatment exhibited salt-induced physiological enhancement compared to the control group. A total of 7,009 unigenes were identified under salt stress, of which 283 unigenes were identified as circadian rhythm genes and 16 unigenes were differentially expressed (circadian rhythm-related DEGs). Further analysis of dynamic expression changes revealed that DEGs involved in four crucial pathways—photosynthesis, thiamine metabolism, abscisic acid synthesis and metabolism, and the hormone-MAPK signal crosstalk pathway—are closely related to the circadian clock. Finally, we constructed a co-expression network between the circadian clock and these four crucial pathways. Our results help shed light on the molecular link between the circadian clock and salt stress tolerance in <em>U. pumila</em>.
description: salt stress
DOI: 10.17188/1683560
title: Materials Data on Hf4CuSi4 by Materials Project

description: Hf4CuSi4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to one Cu and seven Si atoms. The Hf–Cu bond length is 3.11 Å. There are a spread of Hf–Si bond distances ranging from 2.68–2.88 Å. In the second Hf site, Hf is bonded in a 9-coordinate geometry to three equivalent Cu and six Si atoms. There are two shorter (3.03 Å) and one longer (3.14 Å) Hf–Cu bond lengths. There are a spread of Hf–Si bond distances ranging from 2.71–2.81 Å. Cu is bonded to eight Hf and four equivalent Si atoms to form a mixture of edge and face-sharing CuHf8Si4 cuboctahedra. All Cu–Si bond lengths are 2.38 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six Hf, two equivalent Cu, and one Si atom.
DOI: 10.17188/1683562
title: Materials Data on KGd(MoO4)2 by Materials Project

description: KGd(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.40 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.72 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.47 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent Gd3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Gd3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Gd3+, and one Mo6+ atom.
DOI: 10.17188/1683565
title: Materials Data on VCoO4 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: 10.17188/1683567
title: Materials Data on CrW2N3 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: 10.17188/1683568
title: Materials Data on TlBrO3 by Materials Project

description: TlO3Br crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two TlO3Br ribbons oriented in the (1, 0, 0) direction. Tl1+ is bonded to four O2- atoms to form distorted corner-sharing TlO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.16–2.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tl1+ and one Br5+ atom. The O–Br bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ atom. Br5+ is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1683569
title: Materials Data on MoN by Materials Project

description: MoN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Mo–N bond lengths. In the second Mo3+ site, Mo3+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mo–N bond distances ranging from 2.01–2.49 Å. In the third Mo3+ site, Mo3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Mo–N bond distances ranging from 2.13–2.28 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to six Mo3+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to five Mo3+ atoms. In the third N3- site, N3- is bonded to four Mo3+ atoms to form distorted edge-sharing NMo4 tetrahedra.
DOI: 10.17188/1683570
title: Materials Data on PrTiFe11 by Materials Project

description: PrFe11Ti crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to one Ti and nineteen Fe atoms. The Pr–Ti bond length is 3.20 Å. There are a spread of Pr–Fe bond distances ranging from 3.01–3.30 Å. Ti is bonded in a 1-coordinate geometry to one Pr and thirteen Fe atoms. There are a spread of Ti–Fe bond distances ranging from 2.36–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr, one Ti, and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FePr2TiFe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.63 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Pr and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.57–2.82 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Ti, and eight Fe atoms. There are two shorter (2.62 Å) and two longer (2.78 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Pr, one Ti, and nine Fe atoms. There are two shorter (2.60 Å) and one longer (2.64 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Pr, one Ti, and twelve Fe atoms. All Fe–Fe bond lengths are 2.91 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Pr, two equivalent Ti, and eleven Fe atoms. The Fe–Fe bond length is 2.44 Å.
DOI: 10.17188/1683571
title: Materials Data on InBi2S4Br by Materials Project

description: InBi2S4Br crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with four equivalent BiS5Br2 pentagonal bipyramids, edges with two equivalent InS6 octahedra, and edges with six equivalent BiS5Br2 pentagonal bipyramids. There are two shorter (2.62 Å) and four longer (2.70 Å) In–S bond lengths. Bi3+ is bonded to five S2- and two equivalent Br1- atoms to form distorted BiS5Br2 pentagonal bipyramids that share corners with two equivalent InS6 octahedra, corners with two equivalent BiS5Br2 pentagonal bipyramids, edges with three equivalent InS6 octahedra, edges with three equivalent BiS5Br2 pentagonal bipyramids, and faces with two equivalent BiS5Br2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 21°. There are three shorter (2.70 Å) and two longer (3.19 Å) Bi–S bond lengths. Both Bi–Br bond lengths are 3.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one In3+ and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent In3+ and three equivalent Bi3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.
DOI: 10.17188/1683572
title: Materials Data on K2Se2O7 by Materials Project

description: K2Se2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.25 Å. Se6+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se6+ atoms.
DOI: 10.17188/1683573
title: Materials Data on V2(CuO2)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: 10.17188/1683574
title: Materials Data on Sr2FeWO6 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: 10.17188/1683575
title: Materials Data on Li2InSi by Materials Project

description: LiLiInSi is alpha bismuth trifluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four lithium molecules and one LiInSi framework. In the LiInSi framework, Li1+ is bonded to four equivalent Si4- atoms to form LiSi4 tetrahedra that share corners with four equivalent InSi4 tetrahedra, corners with twelve equivalent LiSi4 tetrahedra, and edges with six equivalent InSi4 tetrahedra. All Li–Si bond lengths are 2.88 Å. In2+ is bonded to four equivalent Si4- atoms to form InSi4 tetrahedra that share corners with four equivalent LiSi4 tetrahedra, corners with twelve equivalent InSi4 tetrahedra, and edges with six equivalent LiSi4 tetrahedra. All In–Si bond lengths are 2.88 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent In2+ atoms.
DOI: 10.17188/1683576
title: Materials Data on Pb4C(Cl3O2)2 by Materials Project

description: Pb4C(O2Cl3)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pb+2.50+ sites. In the first Pb+2.50+ site, Pb+2.50+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.06–3.16 Å. In the second Pb+2.50+ site, Pb+2.50+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.89–3.25 Å. In the third Pb+2.50+ site, Pb+2.50+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.50–2.63 Å. There are a spread of Pb–Cl bond distances ranging from 2.99–3.29 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.32 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 Pb+2.50+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb+2.50+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pb+2.50+ and two equivalent Cl1- atoms. Both O–Cl bond lengths are 2.96 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Pb+2.50+ atoms. In the second Cl1- site, Cl1- is bonded to four Pb+2.50+ atoms to form distorted corner-sharing ClPb4 tetrahedra. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb+2.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Pb+2.50+ and one O2- atom.
DOI: 10.17188/1683577
title: Materials Data on Ba2BiSbO6 by Materials Project

description: Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.
DOI: 10.17188/1683578
title: Materials Data on TaReW2 by Materials Project

description: TaW2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaW2Re ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent W atoms. Both Ta–W bond lengths are 2.33 Å. W is bonded in a linear geometry to one Ta and one Re atom. The W–Re bond length is 2.25 Å. Re is bonded in a linear geometry to two equivalent W atoms.