Física de la Materia Condensada (Datos de investigación)
URI permanente para esta colecciónhttps://hdl.handle.net/11441/165726
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Conjunto de Datos Dataset of optimized DFT atomic coordinates for MM'X computational models(2026) Cui, Zhe; Romero-Muñiz, Carlos; Law, Jia Yan; Franco García, Victorino; Física de la Materia Condensada; Cui, Zhe; Franco García, Victorino; Cui, Zhe; Cui, Zhe; European Union (UE); Agencia Estatal de Investigación. España; Ministerio de Ciencia e Innovación (MICIN). España; Junta de Andalucía; FQM421: Materiales Funcionales para la Sostenibilidad y la ResilienciaThis dataset contains optimized VASP-format atomic coordinates for DFT computational models of MM'X compounds. It includes 940 optimized structures for the high-throughput DFT/ML database and 499 optimized representative and non-representative supercell structures used for the supercell-consistency analysis.Conjunto de Datos Dataset of High-throughput DFT-calculated structural, magnetic, and energetic Properties of MM'X alloys(2026-05-27) Cui, Zhe; Romero-Muñiz, Carlos; Law, Jia Yan; Franco García, Victorino; Física de la Materia Condensada; Cui, Zhe; Romero-Muñiz, Carlos; Franco García, Victorino; Cui, Zhe; Cui, Zhe; European Union (UE); Agencia Estatal de Investigación. España; Universidad de Sevilla; Ministerio de Ciencia e Innovación (MICIN). España; Junta de Andalucía; FQM421: Materiales Funcionales para la Sostenibilidad y la ResilienciaThis dataset consists of an Excel database containing 230 MM'X compound compositions and their structural, magnetic, and energetic properties generated from high-throughput density functional theory (DFT) calculations performed with VASP. The dataset includes calculated properties for orthorhombic and hexagonal structures, including ferromagnetic, antiferromagnetic, and non-magnetic configurations where applicable. It is provided to support reproducibility and reuse of the computational materials data.Conjunto de Datos Dataset of 470 MM'X alloy compositions and DFT-related properties(2026) Cui, Zhe; Romero-Muñiz, Carlos; Law, Jia Yan; Franco García, Victorino; Física de la Materia Condensada; Cui, Zhe; Franco García, Victorino; Cui, Zhe; Cui, Zhe; Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Agencia Estatal de Investigación. España; European Union (UE); FQM421: Materiales Funcionales para la Sostenibilidad y la ResilienciaThis dataset consists of a CSV database containing 470 MM'X compound compositions and their DFT-related properties generated from high-throughput density functional theory (DFT) calculations. The dataset was used for high-throughput DFT analysis and machine-learning analysis. It is provided to support reproducibility and reuse of the computational materials data.Conjunto de Datos Dataset of Efficacy and safety of a multi-action tear substitute based on 0.15% cross-linked hyaluronic acid, 3% trehalose and liposomes with stearylamine: A randomized, single-mask, controlled study(2026-01-28) Ballesteros Sánchez, Antonio; Tedesco, Giovanni Roberto; Rocha de Lossada, Carlos; Russo, Fedele; Sánchez González, José María; Borroni, Davide; Física de la Materia Condensada; Sánchez González, José MaríaThis dataset contains participant-level tabular data from a clinical study on ocular surface/dry eye outcomes, including demographic variables and repeated measures collected at baseline (B), 3 months (3M), and 6 months (6M). Variables include OSDI questionnaire scores, non-invasive tear break-up time (NIBUT), Schirmer test values (ST), and additional derived change-score variables computed by the study team.Conjunto de Datos Dataset of Microstructural study and impedance spectroscopy of zirconia/graphene composites(2025-09-16) Coto-Ruiz, Francisco Javier; De la Cruz-Blanco, Ana; Moriche Tirado, Rocío; Morales Rodríguez, Ana; Poyato Galán, Rosalía; Física de la Materia Condensada; Poyato Galán, Rosalía; Morales Rodríguez, Ana; Poyato Galán, Rosalía; Poyato Galán, Rosalía; Ministerio de Ciencia e Innovación (MICIN). España; Agencia Estatal de Investigación. España; European Union (UE); FQM163: Propiedades Mecánicas de SólidosThe dataset contains the results from X-ray diffraction, Raman spectroscopy and impedance spectroscopy studies of ceramic composites with 8 mol% yttria cubic stabilized zirconia (8YCSZ) matrix and different contents of reduced graphene oxide (rGO, 1, 2.5, 5 and 10 vol%). The composites were spark plasma sintered at 1300 and 1350 ºC. The dataset also includes scanning electron microscopy images of the sintered composites.Conjunto de Datos X-ray diffraction patterns of BCZT obtained by mechanosynthesis and densified by conventional and hot-press sintering [Dataset](2024) Sayagués de Vega, María Jesús; Gotor Martínez, Francisco José; Moriche Tirado, Rocío; Física de la Materia Condensada; Gotor Martínez, Francisco José; Moriche Tirado, Rocío; Sayagués de Vega, María Jesús; Gotor Martínez, Francisco José; Ministerio de Ciencia, Innovación y Universidades (MICINN). España; Agencia Estatal de Investigación. España; European Union (UE); FQM-163: Propiedades mecánicas de sólidosThe dataset contains the X-ray difraction patterns of (1-x)BaZr0.2Ti0.8O3–(x)Ba0.7Ca0.3TiO3 solid solution powder obtained by mechanosynthesis (x = 0.4, 0.45, 0.5, 0.55, and 0.6). It also includes patterns of thermally treated powder and fine-grained related ceramics densified by conventional in atmospheric air and hot-press sintering. The dataset is part of research funded by: Grant Agency: MICIU/AEI/ 10.13039/501100011033 and “European Union NextGenerationEU/PRTR” Grant Number: TED2021-131458A-I00 Grant Agency: MICIU/AEI/10.13039/501100011033 Grant Number: PID2020-117648RB-I00