cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1733822
title: Materials Data on K3LuF6 by Materials Project

description: K3LuF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.67 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.43 Å. Lu3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.12 Å) and two longer (2.14 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Lu3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Lu3+ atom.
DOI: 10.17188/1733823
title: Materials Data on K4P3NO13 by Materials Project

description: K4P3NO13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one K4P3NO13 sheet oriented in the (0, 1, 0) direction. there are four inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one N and four O atoms. The K–N bond length is 3.08 Å. There are a spread of K–O bond distances ranging from 2.62–3.34 Å. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.62–3.13 Å. In the third K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.70–3.01 Å. In the fourth K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.31 Å. There are three inequivalent P sites. In the first P site, P is bonded to one N and three O atoms to form corner-sharing PNO3 tetrahedra. The P–N bond length is 1.69 Å. There is two shorter (1.51 Å) and one longer (1.62 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.67 Å. In the third P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.75 Å. N is bonded in a distorted single-bond geometry to one K and one P atom. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K and two P atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two P atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to two K and one P atom. In the ninth O site, O is bonded in a 1-coordinate geometry to three K and one P atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the eleventh O site, O is bonded in a 3-coordinate geometry to two K and one O atom. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the thirteenth O site, O is bonded in a distorted water-like geometry to one K and one O atom.
DOI: 10.17188/1733824
title: Materials Data on Nd2ZnPtO6 by Materials Project

description: Nd2PtZnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.79 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. All Pt–O bond lengths are 2.06 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of Zn–O bond distances ranging from 2.09–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, one Pt4+, and one Zn2+ atom to form distorted corner-sharing ONd2ZnPt trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Zn2+ atom.
DOI: 10.17188/1733825
title: Materials Data on Li5Fe8(BO3)8 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: 10.17188/1733826
title: Materials Data on Hg3Cl by Materials Project

description: (Hg)6Cl2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Hg framework. In the Hg framework, there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Hg atoms. All Hg–Hg bond lengths are 3.27 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1733827
title: Materials Data on Li3Co3SbO8 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: 10.17188/1733828
title: Materials Data on YbEuMg2 by Materials Project

description: Mg2YbEu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Eu atoms. All Mg–Yb bond lengths are 3.43 Å. All Mg–Eu bond lengths are 3.43 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1733829
title: Materials Data on SrHg3 by Materials Project

description: SrHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded to twelve Hg atoms to form a mixture of corner and face-sharing SrHg12 cuboctahedra. There are a spread of Sr–Hg bond distances ranging from 3.43–3.52 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Sr atoms. In the second Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Sr atoms.
DOI: 10.17188/1733830
title: Materials Data on LiMnF5 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: 10.17188/1733831
title: Materials Data on YI3O11 by Materials Project

description: YO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one YO11I3 sheet oriented in the (0, 1, 1) direction. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.32–2.47 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Y and one I atom. The O–I bond length is 1.91 Å. In the second O site, O is bonded in a 1-coordinate geometry to two I atoms. There are one shorter (1.83 Å) and one longer (2.53 Å) O–I bond lengths. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.83 Å) and one longer (2.55 Å) O–I bond lengths. In the eighth O site, O is bonded in a 2-coordinate geometry to one Y and one I atom. The O–I bond length is 1.86 Å. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a single-bond geometry to one Y atom. In the eleventh O site, O is bonded in a single-bond geometry to one Y atom. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to four O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a distorted rectangular see-saw-like geometry to four O atoms.
DOI: 10.17188/1733834
title: Materials Data on Mn12O5F19 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: 10.17188/1733835
title: Materials Data on CNO2 by Materials Project

description: (CO2)N crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of thirty-two methane molecules and thirty-two nitrous acid molecules.
DOI: 10.17188/1733837
title: Materials Data on MnTlF4 by Materials Project

description: MnTlF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Mn–F bond distances ranging from 1.88–2.19 Å. Tl1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Tl–F bond distances ranging from 2.74–3.10 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Mn3+ and two equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mn3+ and one Tl1+ atom.
DOI: 10.17188/1733840
title: Materials Data on Gd(Re2Si)2 by Materials Project

description: Gd(Re2Si)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to twelve equivalent Re and six equivalent Si atoms. There are four shorter (3.25 Å) and eight longer (3.35 Å) Gd–Re bond lengths. There are four shorter (3.03 Å) and two longer (3.04 Å) Gd–Si bond lengths. Re is bonded to three equivalent Gd, six equivalent Re, and three equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing ReGd3Re6Si3 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.61–2.83 Å. There are one shorter (2.46 Å) and two longer (2.56 Å) Re–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Re atoms.
DOI: 10.17188/1733841
title: Materials Data on Ba3NaB24 by Materials Project

description: NaBa3B24 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to twenty-four B atoms. There are sixteen shorter (3.10 Å) and eight longer (3.12 Å) Na–B bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to twenty-four B atoms. There are a spread of Ba–B bond distances ranging from 3.10–3.18 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to twenty-four B atoms. All Ba–B bond lengths are 3.13 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Na, two equivalent Ba, and five B atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 Å. In the second B site, B is bonded in a 1-coordinate geometry to four Ba and five B atoms. There is one shorter (1.74 Å) and four longer (1.78 Å) B–B bond length. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Ba and five B atoms. The B–B bond length is 1.74 Å. In the fourth B site, B is bonded in a 1-coordinate geometry to four equivalent Ba and five B atoms. The B–B bond length is 1.74 Å. In the fifth B site, B is bonded in a 1-coordinate geometry to four equivalent Ba and five B atoms. In the sixth B site, B is bonded in a 1-coordinate geometry to four equivalent Na and five B atoms. The B–B bond length is 1.67 Å.
DOI: 10.5281/zenodo.4463469
title: Data from: A sink host allows a specialist herbivore to persist in a seasonal source

description: <strong>Filename: </strong>1_Population_growth_rate.xlsx Variables: 1. Source host - the plant species from which experimental females were transferred <br> 2. Target host - the plant species to which experimental females were transferred<br> 3. Generations - tested time period, in generations<br> 4. N<sub>0</sub> - the number of females placed at the beginning of the experiment<br> 5. N - the number of mites (being a progeny of N<sub>0</sub> females) counted after each tested time period <strong>Filename: </strong>2_Emigration_dispersal.xlsx Variables: 1. Source host - the plant species infested by mites and exposed to wind<br> 2. Target host - the plant species toward which mites could disperse<br> 3. N - population size on the source host<br> 4. D - the number of individuals that dispersed from the source host <strong>Filename: </strong>3_Emigration_acceptance.xlsx Variables: 1. Source host - the plant species from which experimental females were transferred <br> 2. Target host - the plant species to which experimental females were transferred<br> 3. N - the number of females placed on the experimental arena<br> 4. R - the number of females that stayed on the experimental arena after incubation <strong>Filename: </strong>4_Experimental_evolution.xlsx Variables: 1. Regime - host selection regime (W - wheat; B - brome; WB - wheat-brome alternating each three generations on each host species)<br> 2. Generations - the number of generations the population survived<br> 3. Status - 0 - censored observation; 1 - observed event of extinction <strong>Filename: </strong>5_Field_database.xlsx Variables: 1. Sampling date - date of plant collection in the field<br> 2. Day - the day of the year when the sample was collected<br> 3. Year - the year of the sample collection<br> 4. Host - the plant species collected <br> 5. n - the number of all plant shoots examined<br> 6. k - the number of plant shoots infested<br> <br> <br>
description: The study was supported by the National Science Centre, Poland (NSC); research grant no. 2017/27/N/NZ8/00305 (tasks: assessing the population growth rate and host acceptance; experimental evolution); NSC research grant no. 2016/21/B/NZ8/00786 (tasks: establishing the stock population - including field work, barcoding and maintaining; assessing the dispersal rate). AL scholarships were funded by European Social Funds POWR.03.02.00–00–I006/17, NSC (PhD scholarship no. 2019/32/T/NZ8/00151) and Adam Mickiewicz University Foundation (awarded in 2019/2020). LK was involved in this work while supported by the NSC grant 2018/29/B/NZ8/00066. SMe became involved in this work while supported by a US Fulbright Scholarship.
DOI: 10.17188/1733842
title: Materials Data on Li2TiVO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.6073/pasta/ca4eab0b45388588acf270af92004ef6
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 11 meteorological station: Daily average soil volumetric water content data: 2013 - ongoing

description: Daily Average of 30-minute Soil Volumetric Water Content data at 10 cm at CSIS Block-11. Collection of soil water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured every 30 minutes at 10 cm depth at 3 locations at each of the 4 plots per block and averaged for the daily value. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded at an automated meteorological station installed at Jornada LTER CSIS Block-11 site. This is an ONGOING dataset.
DOI: 10.17188/1733844
title: Materials Data on Li4CrSb(WO6)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: 10.17188/1733845
title: Materials Data on Mn3OF5 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: 10.17188/1733846
title: Materials Data on Sn(NF3)2 by Materials Project

description: N2SnF6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four tetrafluorostannane;dihydrofluoride molecules.
DOI: 10.17188/1733847
title: Materials Data on VPH11O9 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: 10.17188/1733848
title: Materials Data on Na3(CO3)2 by Materials Project

description: Na3(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Na3(CO3)2 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.48 Å. In the second Na site, Na is bonded to six O atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.40–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two Na and one C atom. In the second O site, O is bonded in a 4-coordinate geometry to three Na and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Na and one C atom.
DOI: 10.17188/1733849
title: Materials Data on CdH12C2S2(N3Cl2)2 by Materials Project

description: CdC2H12S2(N3Cl2)2 is alpha structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CdC2H12S2(N3Cl2)2 clusters. Cd2+ is bonded in an octahedral geometry to two equivalent S2- and four Cl1- atoms. Both Cd–S bond lengths are 2.73 Å. All Cd–Cl bond lengths are 2.66 Å. C4+ is bonded in a distorted trigonal planar geometry to two N+2.33- and one S2- atom. There is one shorter (1.34 Å) and one longer (1.36 Å) C–N bond length. The C–S bond length is 1.70 Å. There are three inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded in a distorted trigonal planar geometry to one C4+, one N+2.33-, and one H1+ atom. The N–N bond length is 1.41 Å. The N–H bond length is 1.04 Å. In the second N+2.33- site, N+2.33- is bonded in a trigonal non-coplanar geometry to one N+2.33- and three H1+ atoms. There is one shorter (1.04 Å) and two longer (1.06 Å) N–H bond length. In the third N+2.33- site, N+2.33- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33- atom. S2- is bonded in a bent 120 degrees geometry to one Cd2+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.
DOI: 10.15129/b8bc443e-0600-4264-8478-a99642ec93de
title: Supplementary material for: "The zoo of modes of convection in liquids vibrated along the direction of the temperature gradient"

description: The files appended with the .cfluid can be visualized on Matlab Or MS Excel. The data used for this publication correspond to the central probe (Probe1) in the x-direction (i.e. 5th column of the data set). For what concerns the TFD data and Nusselt numbers, the data is readily available to be viewed in Excel. Figures 12-16 were produced by visualizing the velocity field in Paraview (simply click on the .foam files to visualise the data set. Note: Paraview must be installed). Dataset related to G. Crewdson and M. Lappa, (2021), The zoo of modes of convection in liquids vibrated along the direction of the temperature gradient, FLUIDS (ISSN: 2311-5521), 6(1), 30. https://www.mdpi.com/2311-5521/6/1/30 DOI: 10.3390/fluids6010030
DOI: 10.17188/1733850
title: Materials Data on Rb2LiNbF6 by Materials Project

description: Rb2LiNbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent NbF6 octahedra. All Rb–F bond lengths are 3.02 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.15 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.12 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Nb3+ atom.