cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758934
title: Materials Data on NdY3Zr4O14 by Materials Project

description: NdY3Zr4O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.34 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. All Y–O bond lengths are 2.27 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.30 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.26–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OZr4 tetrahedra and edges with six ONdYZr2 tetrahedra. In the second O2- site, O2- is bonded to one Nd3+, one Y3+, and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing ONdYZr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Y3+ and two Zr4+ atoms to form a mixture of corner and edge-sharing OY2Zr2 tetrahedra.
DOI: 10.17188/1758935
title: Materials Data on NaCaMgCr(SiO3)4 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: 10.17188/1758936
title: Materials Data on Mg(BrO)2 by Materials Project

description: Mg(OBr)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mg(OBr)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded to two equivalent O and four equivalent Br atoms to form distorted edge-sharing MgBr4O2 octahedra. Both Mg–O bond lengths are 2.01 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Mg–Br bond lengths. O is bonded in a single-bond geometry to one Mg atom. Br is bonded in an L-shaped geometry to two equivalent Mg atoms.
DOI: 10.17188/1758938
title: Materials Data on Cs2YAgF6 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: 10.17188/1758939
title: Materials Data on LiV(TeO4)3 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: 10.17188/1758940
title: Materials Data on PrMoBrO4 by Materials Project

description: PrMoO4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to five O2- and three Br1- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.69 Å. There are two shorter (3.02 Å) and one longer (3.03 Å) Pr–Br bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to seven O2- and one Br1- atom. There are a spread of Pr–O bond distances ranging from 2.42–2.88 Å. The Pr–Br bond length is 3.08 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.83 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.83 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+, one Mo6+, and three equivalent Br1- atoms. There are a spread of O–Br bond distances ranging from 3.47–3.69 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to one Pr3+, one Mo6+, and one Br1- atom. The O–Br bond length is 3.25 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+, one Mo6+, and two equivalent Br1- atoms. There are one shorter (3.45 Å) and one longer (3.54 Å) O–Br bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+, one Mo6+, and two equivalent Br1- atoms. There are one shorter (3.43 Å) and one longer (3.56 Å) O–Br bond lengths. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Pr3+, one Mo6+, and one Br1- atom. The O–Br bond length is 3.19 Å. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Pr3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Pr3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Mo6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Pr3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two Pr3+ and nine O2- atoms.
DOI: 10.17188/1758941
title: Materials Data on Rb2YAgF6 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: 10.17188/1758943
title: Materials Data on LiMnF3 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: 10.17188/1758944
title: Materials Data on TmB12 by Materials Project

description: TmB12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Tm–B bond lengths are 2.78 Å. B is bonded in a 7-coordinate geometry to two equivalent Tm and five equivalent B atoms. There is one shorter (1.71 Å) and four longer (1.79 Å) B–B bond length.
DOI: 10.17188/1758945
title: Materials Data on Mn2GeW by Materials Project

description: WMn2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two WMn2Ge ribbons oriented in the (1, 0, 0) direction. W is bonded in a linear geometry to two equivalent Mn atoms. Both W–Mn bond lengths are 2.77 Å. Mn is bonded in a linear geometry to one W and one Ge atom. The Mn–Ge bond length is 2.36 Å. Ge is bonded in a linear geometry to two equivalent Mn atoms.
DOI: 10.6073/pasta/574530618994341e6d05d4db5e3b3351
title: SBC LTER: Reef: Annual time series of biomass for kelp forest species, ongoing since 2000

description: These data are annual estimates of biomass of approximately 225 taxa of reef algae, invertebrates and fish in permanent transects at 11 kelp forest sites in the Santa Barbara Channel (2-8 transects per site). Abundance is measured annually (as percent cover or density, by size) and converted to biomass (i.e., wet mass, dry mass, decalcified dry mass, ash free dry mass) using published taxon-specific algorithms. Data collection began in summer 2000 and continues annually in summer to provide information on community structure, population dynamics and species change. The time period of data collection varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. See Methods for more information. See Methods for more information.
DOI: 10.17188/1758946
title: Materials Data on TmSe2NO11 by Materials Project

description: TmNSe2O9O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one TmNSe2O9 sheet oriented in the (0, 0, 1) direction. In the TmNSe2O9 sheet, Tm is bonded to six O atoms to form TmO6 octahedra that share corners with three equivalent SeO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.17–2.27 Å. N is bonded in a water-like geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.56 Å) N–O bond length. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 35–57°. There are a spread of Se–O bond distances ranging from 1.67–1.99 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.69 Å) and one longer (1.87 Å) Se–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Tm and one Se atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a water-like geometry to one Se and one O atom. The O–O bond length is 1.36 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Tm and one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Tm and one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Tm and one Se atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Tm and one Se atom. In the eighth O site, O is bonded in a water-like geometry to one N and one Se atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Tm and one Se atom.
DOI: 10.17188/1758947
title: Materials Data on Li3BH6 by Materials Project

description: Li3BH6 is Sylvanite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Li–H bond distances ranging from 1.81–1.99 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Li–H bond distances ranging from 1.80–1.97 Å. In the third Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Li–H bond distances ranging from 1.81–2.01 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in an octahedral geometry to six H atoms. There is four shorter (1.44 Å) and two longer (1.45 Å) B–H bond length. In the second B3- site, B3- is bonded in an octahedral geometry to six H atoms. There is four shorter (1.45 Å) and two longer (1.47 Å) B–H bond length. There are six inequivalent H sites. In the first H site, H is bonded in a 4-coordinate geometry to three Li1+ and one B3- atom. In the second H site, H is bonded to three Li1+ and one B3- atom to form a mixture of distorted edge and corner-sharing HLi3B trigonal pyramids. In the third H site, H is bonded in a 4-coordinate geometry to three Li1+ and one B3- atom. In the fourth H site, H is bonded to three Li1+ and one B3- atom to form a mixture of distorted edge and corner-sharing HLi3B trigonal pyramids. In the fifth H site, H is bonded in a 3-coordinate geometry to three Li1+ and one B3- atom. In the sixth H site, H is bonded in a 4-coordinate geometry to three Li1+ and one B3- atom.
DOI: 10.17188/1758948
title: Materials Data on MnSeO3 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: 10.17188/1758949
title: Materials Data on NbTlWO6 by Materials Project

description: TlNbWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent WO6 octahedra, and corners with six equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 39–72°. There are two shorter (1.99 Å) and four longer (2.01 Å) Nb–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent NbO6 octahedra, and corners with six equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 37–71°. There is four shorter (1.93 Å) and two longer (1.95 Å) W–O bond length. Tl1+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with six equivalent NbO6 octahedra and corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 69–72°. There are a spread of Tl–O bond distances ranging from 3.26–3.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent W6+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+, one W6+, and one Tl1+ atom.
DOI: 10.17188/1758950
title: Materials Data on KAlPO5 by Materials Project

description: KAlPO5 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. K is bonded in a 5-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.59–2.87 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There is four shorter (1.87 Å) and two longer (2.00 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Al–O bond distances ranging from 1.86–2.00 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. All P–O bond lengths are 1.55 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K, one Al, and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one Al, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Al, and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one Al, and one P atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one K and two Al atoms.
DOI: 10.17188/1758952
title: Materials Data on PuB2Ir3 by Materials Project

description: PuIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve equivalent Ir, and six equivalent B atoms. Both Pu–Pu bond lengths are 3.12 Å. All Pu–Ir bond lengths are 3.15 Å. All Pu–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Pu and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Pu and six equivalent Ir atoms.
DOI: 10.17188/1758953
title: Materials Data on Cs2FeH12(SO7)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: 10.17188/1758955
title: Materials Data on MnVAgO4 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: 10.17188/1758956
title: Materials Data on Zr4Ni2N by Materials Project

description: Zr4Ni2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All Zr–Ni bond lengths are 2.70 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent N atoms. Both Zr–Ni bond lengths are 2.81 Å. Both Zr–N bond lengths are 2.29 Å. Ni is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 37°.
DOI: 10.17188/1758959
title: Materials Data on HfGaRh by Materials Project

description: HfRhGa crystallizes in the trigonal P31m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Rh and six equivalent Ga atoms. There are four shorter (2.79 Å) and one longer (2.86 Å) Hf–Rh bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.94–3.03 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. There are three shorter (2.59 Å) and three longer (2.60 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Rh–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Rh atoms.
DOI: 10.17188/1758960
title: Materials Data on K3Zr by Materials Project

description: K3Zr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Zr atoms to form distorted KK8Zr4 cuboctahedra that share corners with twelve equivalent KK8Zr4 cuboctahedra, edges with eight equivalent KK8Zr4 cuboctahedra, edges with eight equivalent ZrK12 cuboctahedra, faces with four equivalent ZrK12 cuboctahedra, and faces with ten equivalent KK8Zr4 cuboctahedra. There are four shorter (4.08 Å) and four longer (4.24 Å) K–K bond lengths. All K–Zr bond lengths are 4.24 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Zr atoms. All K–Zr bond lengths are 4.08 Å. Zr is bonded to twelve K atoms to form ZrK12 cuboctahedra that share corners with four equivalent ZrK12 cuboctahedra, edges with eight equivalent ZrK12 cuboctahedra, edges with sixteen equivalent KK8Zr4 cuboctahedra, faces with four equivalent ZrK12 cuboctahedra, and faces with eight equivalent KK8Zr4 cuboctahedra.
DOI: 10.17188/1758961
title: Materials Data on K2AlInCl6 by Materials Project

description: K2InAlCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent InCl6 octahedra, and faces with four equivalent AlCl6 octahedra. All K–Cl bond lengths are 3.80 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent AlCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 3.00 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.35 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+, one In1+, and one Al3+ atom.
DOI: 10.6073/pasta/c4f5b56d546309d0fa1d52a61bfb42d4
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Transect depth data

description: These data provide summaries of depth information (mean, standard deviation and coefficient of variation) for all of the transects surveyed as part of the SBC LTER Kelp Forest Monitoring program. All data are expressed in meters, reference to mean lower low water (MLLW). Each value is the result of 160 observations, four at each meter (n=160). The sampling locations in this dataset are 40 meter transects at nine reef sites along the mainland coast of the Santa Barbara Channel and at two sites on the north side of Santa Cruz Island. Data were recorded in 2010.
DOI: 10.6073/pasta/7e0d646620cf5c9bea00bc6d420bb3f8
title: SBC LTER: Reef: Master species list

description: These data are the master species list for all the biological surveys conducted in kelp forest communities in the Santa Barbara Channel. In addition to the taxonomic information for the taxa, there are aphiaID (a taxonomic ID from the WORMs database, see methods) and species’ minimum and maximum size ranges.
DOI: 10.6084/m9.figshare.13710479
title: Additional file 1 of Knowledge, attitude and practice of the Sudanese people towards COVID-19: an online survey

description: Additional file 1.
DOI: 10.6084/m9.figshare.13710479.v1
title: Additional file 1 of Knowledge, attitude and practice of the Sudanese people towards COVID-19: an online survey

description: Additional file 1.
DOI: 10.6084/m9.figshare.13710530.v1
title: Additional file 2 of Media representations of COVID-19 public health policies: assessing the portrayal of essential health services in Canadian print media

description: Additional file 2. Raw Data.
DOI: 10.6084/m9.figshare.13710530
title: Additional file 2 of Media representations of COVID-19 public health policies: assessing the portrayal of essential health services in Canadian print media

description: Additional file 2. Raw Data.
DOI: 10.6084/m9.figshare.13710539
title: Additional file 10 of GEOlimma: differential expression analysis and feature selection using pre-existing microarray data

description: Additional file 10. 'GEOlimma probabilities.rda': gene-level DE prior probabilities for GEOlimma.
DOI: 10.6084/m9.figshare.13710560
title: Additional file 7 of GEOlimma: differential expression analysis and feature selection using pre-existing microarray data

description: Additional file 7. 'DE_source.R': source code implementing the described analyses.
DOI: 10.6084/m9.figshare.13710563
title: Additional file 8 of GEOlimma: differential expression analysis and feature selection using pre-existing microarray data

description: Additional file 8. 'ebayesGEO.R': source code implementing the described analyses.
DOI: 10.6084/m9.figshare.13710560.v1
title: Additional file 7 of GEOlimma: differential expression analysis and feature selection using pre-existing microarray data

description: Additional file 7. 'DE_source.R': source code implementing the described analyses.
DOI: 10.6084/m9.figshare.13710566
title: Additional file 9 of GEOlimma: differential expression analysis and feature selection using pre-existing microarray data

description: Additional file 9. 'GEOlimma probabilities.txt': gene-level DE prior probabilities for GEOlimma.