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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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