cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1732271
title: Materials Data on Sr4LaMn5O13 by Materials Project

description: Sr4LaMn5O13 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.09 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.79 Å. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share faces with two equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent MnO5 trigonal bipyramids. There are a spread of La–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mn–O bond distances ranging from 1.93–2.06 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with two equivalent MnO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Mn–O bond distances ranging from 1.96–2.03 Å. In the third Mn3+ site, Mn3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.97 Å) Mn–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two Mn3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn3+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mn3+ atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent OSr2La2Mn2 octahedra and edges with two equivalent OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two Mn3+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Mn3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Mn3+ atoms to form distorted OSr2La2Mn2 octahedra that share corners with three OSr4Mn2 octahedra and edges with three equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the seventh O2- site, O2- is bonded in a distorted linear geometry to three Sr2+, one La3+, and two equivalent Mn3+ atoms.
DOI: 10.14457/cu.the.2016.478
title: Lexical bundles in authentic and textbook english business emails : a corpus-based comparative study

description: This study aimed to investigate lexical bundles found in authentic English business emails and sample emails in business English textbooks to identify their similarities and differences. The data employed in this study were sample emails from 77 business English textbooks and those emails recruited from the Enron Corporation, representing authentic English business emails. The structural and functional categorizations of lexical bundles from Biber et al. (2004) and Biber (2006) were used as frameworks for the analysis.The findings show that structural types of lexical bundles in textbooks and in authentic emails were quite similar while functional types were significantly different. Although lexical bundles identified in both sets of data are centered around those in the Special functions category, which are associated with communicative acts such as request, expectation expression, offer, etc., a broader range of functional categories were featured in authentic business emails than business English textbook emails. Some implications regarding methodology and business email instruction, and suggestions for further studies are provided.
DOI: 10.17188/1732272
title: Materials Data on V9O22 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: 10.14457/cu.the.2016.479
title: Synthesis of magnetically-separable porous bone char as an effective adsorbent for disinfection by-products precursor removal from surface water

description: This research was aims to synthesis pig bone char and apply to adsorb dissolved organic carbon (DOC) and trihalomethane formation potential (THMs) from Ping river water, Chiang Mai on October 2016. In addition, the magnetically-separable porous bone char was synthesized by adding ferrous nitrate at ratio 1:1. Pig bone char was pyrolysis at 650 and 900 degree Celsius for 2 hour. The synthesized bone char including magnetically-separable porous bone char (FPBC) and porous bone char (PBC) was investigated their physical and chemical characteristics including Point of Zero Charge (PZC), Surface charge density, Surface area (BET), Scanning electron microscope (SEM), Fe mapping and Energy-dispersive X-ray spectroscopy (EDXThe result showed that pig bone char that pyrolysis at 900 °c was the optimal adsorbent.The adsorption kinetics and adsorption isotherms were examined under batch condition. Along with the kinetic study, the adsorption adsorbents reached to the equilibrium after 1 hour of contact time by varied concentration at 0.2, 0.4, 0.6 and 0.8 g/L. The pseudo-second order model was found to fit well with the adsorption kinetic of all adsorbents. From the adsorption isotherm results, the F-PBC-900 °C adsorbent was best fitted with Langmuir isotherm model and the PBC-900 °C adsorbent was best fitted with Freundlich isotherm model.The DBPs precursor removal experiment were analyzed various parameters including dissolved organic carbon (DOC), UV Absorbance at wavelength 254 nm (UV-254), Fluorescence Excitation-Emission Matrices (FEEM), trihalomethane formation potentials (THMFPs) and Specific Trihalomethanes formation potential (STHMFPs). The results indicated that the pig bone char with adding iron (III) nitrate as magnetically-separable porous bone char at 0.4 g/L concentration can be utilized as low cost absorbent.
DOI: 10.17188/1732273
title: Materials Data on NaCaMn2P3(HO6)2 by Materials Project

description: NaCaMn2P3(HO6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.74 Å. Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.36–2.44 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra, an edgeedge with one CaO6 octahedra, and an edgeedge with one MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.18–2.25 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. All P–O bond lengths are 1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–58°. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ca2+, one Mn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Mn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one P5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mn2+, and one P5+ atom.
DOI: 10.14457/cu.the.2017.836
title: Relationship between workload and obesity among dentists in regional health no.8, Northeastern, Thailand

description: Propose: Primary Objective is to find a relation between dentist’s workload and obesity while secondary objective is to find a relation between other independent factors and Obesity.Design: This is a descriptive cross-sectional study with population of all 365 dentists in Regional Health no.8 area. From formulation, the sample size need at least 191 but will send out questionnaire to all individual in population in case of people unwillingness or unqualified for the study. Dental Workload questionnaire will adapted from ADA, Iowa, Utah, and Royal College of Dental Surgeons of Thailand. Other than that standardized questionnaires from WHO GPAQ, WHO Audit, WHO MPOWER, Ramathibodi Hospital Sleep Disorder Center, Mahidol University, and Bureau of Health Promotion. All questionnaires were sent to all MOPH hospital within Health Region No.8. There’s an envelope with stamp inside each questionnaire’s sealbag so that the participant or hospital staff will send back to the author without any fee.Findings: 209 participants sent the survey back. Relationship between overall working time and working time in office hour and BMI are only little positive correlation while working time outside office hour and number of patient doesn't significantly related to BMI at all. Completing all request appointment and felt overworked leads to higher chance of being obesity and abdominal obesity. Value: This study could be a supporting evidence if there’s an establishment of policy on protecting and improving Thai dentist’s quality of life.
DOI: 10.17188/1732274
title: Materials Data on Fe3NiSn2(PO4)6 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: 10.17188/1732275
title: Materials Data on LiScVO4 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: 10.14457/cu.the.2017.837
title: Intelligent pill box to improve medical adherence in elderly with hypertension : a randomized controlled trial

description: Background: Antihypertension medical adherence is important for controlling blood pressure in hypertension patients. Adherence to antihypertension medication among elderly Thai persons in the rural area is low, which contributes to uncontrolled blood pressure. Objective: To examine whether an intreated education program and innovative pill box improves adherence to medications and to improve controlling blood pressure among Thai elderly persons with hypertension.Methods: A randomized controlled trial. 200 elderly persons with hypertension who received at least one hypertension medication, at least once daily, were randomized into two groups. One group received the usual education program (control group) and the second group (intervention group) received education program and a Thai Intelligent Pill Box. Intervention continued for three months. The perception and satisfaction of using this pillbox was explored and reported in this study. Intention to treat analyses using t- test and repeat ANOVA to compare the difference between two groups.Result: Antihypertension medication adherence after three months was statistically significant different between the intervention and control group. Intervention group showed adherence higher than in the control group; mean difference 4.72 (95% CI ;0.61 to 8.85), p-value &lt;0.025). Systolic blood pressure was no different between two groups while diastolic blood pressure was statistically significant different between two group at three months post intervention. Participant’s perception and satisfaction on functionality and features, as well as the design and size, were positive among participants.Conclusion: This randomized controlled trial demonstrates that the integration of program to improve medical adherence and Thai- intelligent pill box improved medical adherence among Thai elderly hypertension patients in rural area.
DOI: 10.17188/1732277
title: Materials Data on Zn2MoN3 by Materials Project

description: MoZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mo5+ is bonded to four N3- atoms to form MoN4 tetrahedra that share corners with two equivalent MoN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mo–N bond distances ranging from 1.89–2.00 Å. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with five equivalent MoN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.09 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Mo5+ and three equivalent Zn2+ atoms to form corner-sharing NZn3Mo tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mo5+ and two equivalent Zn2+ atoms to form corner-sharing NZn2Mo2 tetrahedra.
DOI: 10.17188/1732278
title: Materials Data on CsY(WO4)2 by Materials Project

description: CsY(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 2.97–3.09 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.36 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Y3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Y3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Y3+, and one W6+ atom.
DOI: 10.17188/1732279
title: Materials Data on CeCoRh by Materials Project

description: CeRhCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Co atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Ce–Rh bond lengths. There are two shorter (2.95 Å) and four longer (3.13 Å) Ce–Co bond lengths. Rh is bonded to six equivalent Ce, two equivalent Rh, and four equivalent Co atoms to form distorted RhCe6Co4Rh2 cuboctahedra that share corners with eight equivalent CoCe6Co2Rh4 cuboctahedra, corners with ten equivalent RhCe6Co4Rh2 cuboctahedra, edges with six equivalent RhCe6Co4Rh2 cuboctahedra, faces with six equivalent RhCe6Co4Rh2 cuboctahedra, and faces with twelve equivalent CoCe6Co2Rh4 cuboctahedra. Both Rh–Rh bond lengths are 2.70 Å. All Rh–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Ce, four equivalent Rh, and two equivalent Co atoms to form CoCe6Co2Rh4 cuboctahedra that share corners with eight equivalent RhCe6Co4Rh2 cuboctahedra, corners with ten equivalent CoCe6Co2Rh4 cuboctahedra, edges with six equivalent CoCe6Co2Rh4 cuboctahedra, faces with six equivalent CoCe6Co2Rh4 cuboctahedra, and faces with twelve equivalent RhCe6Co4Rh2 cuboctahedra. Both Co–Co bond lengths are 2.53 Å.
DOI: 10.17188/1732280
title: Materials Data on Li2Ti2FeO6 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: 10.17188/1732281
title: Materials Data on Na3Fe2(AsO4)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: 10.17188/1732282
title: Materials Data on Lu2TlZn by Materials Project

description: Lu2ZnTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms. All Lu–Zn bond lengths are 3.13 Å. All Lu–Tl bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1732283
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: 10.17188/1732284
title: Materials Data on MgTiPd2 by Materials Project

description: MgTiPd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgTiPd2 ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a linear geometry to two equivalent Pd atoms. Both Mg–Pd bond lengths are 2.69 Å. Ti is bonded in a linear geometry to two equivalent Pd atoms. Both Ti–Pd bond lengths are 2.20 Å. Pd is bonded in a linear geometry to one Mg and one Ti atom.
DOI: 10.17188/1732285
title: Materials Data on Ca2Cd3(Cl5O9)2 by Materials Project

description: Ca2Cd3(OCl)10(O2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Ca2Cd3(OCl)10 framework. In the Ca2Cd3(OCl)10 framework, Ca is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ca–O bond distances ranging from 2.19–2.50 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a square co-planar geometry to four Cl atoms. There are two shorter (2.46 Å) and two longer (2.72 Å) Cd–Cl bond lengths. In the second Cd site, Cd is bonded to six Cl atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.59–2.79 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ca and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.62 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.66 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.64 Å. In the fifth O site, O is bonded in a distorted water-like geometry to two O atoms. The O–O bond length is 1.97 Å. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Cd and one O atom. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to one Cd and one O atom. In the third Cl site, Cl is bonded in a distorted T-shaped geometry to three Cd atoms. In the fourth Cl site, Cl is bonded in a water-like geometry to two Cd atoms. In the fifth Cl site, Cl is bonded in a water-like geometry to one Cd and one O atom.
DOI: 10.17188/1732286
title: Materials Data on Li2Ni(PO3)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: 10.17188/1732287
title: Materials Data on HoLuHg2 by Materials Project

description: LuHoHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Lu–Hg bond lengths are 3.19 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ho–Hg bond lengths are 3.19 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.
DOI: 10.17188/1732288
title: Materials Data on Li4Ti3Fe3(NiO8)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: 10.17188/1732289
title: Materials Data on Ca8ZnCo3(Si2O7)4 by Materials Project

description: Ca8Co3Zn(Si2O7)4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.76 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.76 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four equivalent O2- atoms to form CoO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Co–O bond lengths are 1.96 Å. In the second Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four SiO4 tetrahedra. All Co–O bond lengths are 1.96 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Zn–O bond lengths are 1.95 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one CoO4 tetrahedra, a cornercorner with one ZnO4 tetrahedra, and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two CoO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Zn2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Co2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+, one Co2+, and one Si4+ atom.