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Materials Data on LiFe2(BO3)2 (SG:1) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

X-ray Diffraction in Crystallography

Materials Data on K2MnV2O7 (SG:113) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Catalysis and Oxidation ReactionsX-ray Diffraction in CrystallographyNuclear materials and radiation effects

Materials Data on Fe2OF3 (SG:5) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Inorganic Fluorides and Related CompoundsMetallurgical Processes and ThermodynamicsX-ray Diffraction in Crystallography

Materials Data on Cr3(P2O7)2 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

X-ray Diffraction in Crystallography

Materials Data on LiV(PO3)4 (SG:4) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

X-ray Diffraction in CrystallographyNuclear materials and radiation effectsAdvanced ceramic materials synthesis

Materials Data on VH7(CO2)4 (SG:2) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Spacecraft and Cryogenic TechnologiesInorganic Fluorides and Related CompoundsHydrogen Storage and Materials

Materials Data on PrZn(FeO3)2 (SG:31) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Magnetic Properties and Synthesis of FerritesMagnetic Properties of AlloysX-ray Diffraction in Crystallography

Materials Data on LiVSiO5 (SG:11) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

X-ray Diffraction in CrystallographyAdvanced ceramic materials synthesis

Materials Data on Zr11VO24 (SG:25) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Advanced ceramic materials synthesisPigment Synthesis and PropertiesInorganic Chemistry and Materials

Materials Data on V3O5F3 (SG:9) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Inorganic Fluorides and Related CompoundsTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

Materials Data on Li5V3P8O29 (SG:1) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Recycling and Waste Management TechniquesAdvancements in Battery MaterialsAdvanced ceramic materials synthesis

Inducing Electrically Hard Character in Ternary [Pb(Mg1/3Nb2/3)O3,Pb(Yb1/2Nb1/2O3),PbTiO3] Piezoceramics by Mn Doping

Erdem AKÇA、İstek TATAR、Hüseyin Yilmaz 等 4 位作者2014-01-01DSpace - AKÜ (Afyon Kocatepe University)

Bu çalışmada Mn ile katkılanmış Pb(Mg1/3Nb2/3)O3-Pb(Yb1/2Nb1/2)O3-PbTiO3 (PMN-PYbN-PT) esaslı piezoseramiklerin dielektrik ve elektromekanik özellikleri araştırılmıştır. %1 mol MnCO3 içeren 0,2875PMN-0,2875PYbN-0,425PT kompozisyonu 1100˚C’de sinterlenerek üretilmiştir. %98 göreceli yoğunluğa ve tamamen perovskit faza…

Dielectric materials and actuatorsFerroelectric and Piezoelectric MaterialsAdvanced MEMS and NEMS Technologies

Materials Data on LiMn(SiO3)2 (SG:61) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Graphite, nuclear technology, radiation studiesElectron and X-Ray Spectroscopy TechniquesX-ray Diffraction in Crystallography

Materials Data on Cr2OF2 (SG:70) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

X-ray Diffraction in CrystallographyMetallurgical Processes and Thermodynamics

Materials Data on Rb5ErHf(MoO4)6 (SG:167) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Luminescence Properties of Advanced MaterialsX-ray Diffraction in CrystallographySolid-state spectroscopy and crystallography

Materials Data on CaFeWO6 (SG:216) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Luminescence Properties of Advanced MaterialsX-ray Diffraction in CrystallographyInorganic Fluorides and Related Compounds

Materials Data on Y11Ta5O28 by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Y11Ta5O28 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.07–2.75 Å. In the second Y3+ site, Y3+ is bond…

X-ray Diffraction in CrystallographyNuclear materials and radiation effectsMetallurgical Processes and Thermodynamics

Materials Data on Zn(SbO2)2 (SG:160) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

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

Solid-state spectroscopy and crystallographyX-ray Diffraction in CrystallographyCrystal Structures and Properties

Materials Data on Cu29(Ag6As7)2 by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Cu29(Ag6As7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to four Ag1+, two Cu+1.03+, and four As3- atoms. There are a spread of Ag–Ag bond distances ranging from 2.96…

Nanocluster Synthesis and ApplicationsTheoretical and Computational PhysicsQuasicrystal Structures and Properties

Materials Data on Li4CoO3F by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Li4CoO3F crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co3+, three O2-, and one F1- atom. The Li–Co bond length is 1.98 Å. There are a spread of Li–O bond distances rang…

Recycling and Waste Management TechniquesX-ray Diffraction in CrystallographyExtraction and Separation Processes