Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Space groups and crystallographic symmetry: writing a multi-featured tutorial in a new style.

ABSTRACT: Knowledge of space groups and the implications of space group symmetry on the physical and chemical properties of solids are pivotal factors in all areas of crystalline solids. As Jerry Jasinski and I met to bring our ideas in teaching this subject to life, we both felt that 'early and often' - teaching the concepts with textual and visual reinforcement, is the key to providing a sound basis for students in this subject. The tutorial contains > 200 PowerPoint 'slides', in five modules, arranged by crystal class; a sixth module covers special topics. A 'credits' module gives the direct addresses of all embedded links. Space-group diagrams appear in Inter-national Tables format. The triclinic and monoclinic groups (2 + 13) are built from 'scratch', and are derived from the Hermann-Mauguin symbol. An additional section provides practice on many (but not all) of the ortho-rhom-bic groups in crystal class 222. Finally, a 'Special Topics' section on enanti-omorphous space groups features space groups P4₁ and P4₃. In the tutorial, lattice points build iteratively and inter-actively via keyclick, and the coordinates of points 'pop up' as the unit cell is filled. We trust that the elements of guidance, inquiry and occasional humor will make the learning process enjoyable.

SUBMITTER: Foxman BM

PROVIDER: S-EPMC8423017 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Refined symmetry indicators for topological superconductors in all space groups.

Project description:Topological superconductors are exotic phases of matter featuring robust surface states that could be leveraged for topological quantum computation. A useful guiding principle for the search of topological superconductors is to relate the topological invariants with the behavior of the pairing order parameter on the normal-state Fermi surfaces. The existing formulas, however, become inadequate for the prediction of the recently proposed classes of topological crystalline superconductors. In this work, we advance the theory of symmetry indicators for topological (crystalline) superconductors to cover all space groups. Our main result is the exhaustive computation of the indicator groups for superconductors under a variety of symmetry settings. We further illustrate the power of this approach by analyzing fourfold symmetric superconductors with or without inversion symmetry and show that the indicators can diagnose topological superconductors with surface states of different dimensionalities or dictate gaplessness in the bulk excitation spectrum.

| S-EPMC7195178 | biostudies-literature

Symmetry-based indicators of band topology in the 230 space groups.

Project description:The interplay between symmetry and topology leads to a rich variety of electronic topological phases, protecting states such as the topological insulators and Dirac semimetals. Previous results, like the Fu-Kane parity criterion for inversion-symmetric topological insulators, demonstrate that symmetry labels can sometimes unambiguously indicate underlying band topology. Here we develop a systematic approach to expose all such symmetry-based indicators of band topology in all the 230 space groups. This is achieved by first developing an efficient way to represent band structures in terms of elementary basis states, and then isolating the topological ones by removing the subset of atomic insulators, defined by the existence of localized symmetric Wannier functions. Aside from encompassing all earlier results on such indicators, including in particular the notion of filling-enforced quantum band insulators, our theory identifies symmetry settings with previously hidden forms of band topology, and can be applied to the search for topological materials.Understanding the role of topology in determining electronic structure can lead to the discovery, or appreciation, of materials with exotic properties such as protected surface states. Here, the authors present a framework for identifying topologically distinct band-structures for all 3D space groups.

| S-EPMC5493703 | biostudies-literature

Statistical density modification with non-crystallographic symmetry.

Project description:Statistical density modification is a technique for phase improvement through a calculation of the posterior probability of the phases, given experimental phase information and expectations about features of the electron-density map. The technique can take advantage of both estimates of electron density in the map and uncertainties or probability distributions for those estimates. For crystals with non-crystallographic symmetry (NCS), this allows the use of the expected similarity of electron density at NCS-related points without requiring an implicit assumption that these regions are identical.

| S-EPMC2745884 | biostudies-literature

Modeling a Controlled-Floating Space Robot for In-Space Services: A Beginner's Tutorial.

Project description:Ground-based applications of robotics and autonomous systems (RASs) are fast advancing, and there is a growing appetite for developing cost-effective RAS solutions for in situ servicing, debris removal, manufacturing, and assembly missions. An orbital space robot, that is, a spacecraft mounted with one or more robotic manipulators, is an inevitable system for a range of future in-orbit services. However, various practical challenges make controlling a space robot extremely difficult compared with its terrestrial counterpart. The state of the art of modeling the kinematics and dynamics of a space robot, operating in the free-flying and free-floating modes, has been well studied by researchers. However, these two modes of operation have various shortcomings, which can be overcome by operating the space robot in the controlled-floating mode. This tutorial article aims to address the knowledge gap in modeling complex space robots operating in the controlled-floating mode and under perturbed conditions. The novel research contribution of this article is the refined dynamic model of a chaser space robot, derived with respect to the moving target while accounting for the internal perturbations due to constantly changing the center of mass, the inertial matrix, Coriolis, and centrifugal terms of the coupled system; it also accounts for the external environmental disturbances. The nonlinear model presented accurately represents the multibody coupled dynamics of a space robot, which is pivotal for precise pose control. Simulation results presented demonstrate the accuracy of the model for closed-loop control. In addition to the theoretical contributions in mathematical modeling, this article also offers a commercially viable solution for a wide range of in-orbit missions.

| S-EPMC8739970 | biostudies-literature

Detection of changes in literary writing style using N-grams as style markers and supervised machine learning.

Project description:The analysis of an author's writing style implies the characterization and identification of the style in terms of a set of features commonly called linguistic features. The analysis can be extrinsic, where the style of an author can be compared with other authors, or intrinsic, where the style of an author is identified through different stages of his life. Intrinsic analysis has been used, for example, to detect mental illness and the effects of aging. A key element of the analysis is the style markers used to model the author's writing patterns. The style markers should handle diachronic changes and be thematic independent. One of the most commonly used style marker in extrinsic style analysis is n-gram. In this paper, we present the evaluation of traditional n-grams (words and characters) and dependency tree syntactic n-grams to solve the task of detecting changes in writing style over time. Our corpus consisted of novels by eleven English-speaking authors. The novels of each author were organized chronologically from the oldest to the most recent work according to the date of publication. Subsequently, two stages were defined: initial and final. In each stage three novels were assigned, novels of the initial stage corresponded to the oldest and those at the final stage to the most recent novels. To analyze changes in the writing style, novels were characterized by using four types of n-grams: characters, words, Part-Of-Speech (POS) tags and syntactic relations n-grams. Experiments were performed with a Logistic Regression classifier. Dimension reduction techniques such as Principal Component Analysis (PCA) and Latent Semantic Analysis (LSA) algorithms were evaluated. The results obtained with the different n-grams indicated that all authors presented significant changes in writing style over time. In addition, representations using n-grams of syntactic relations have achieved competitive results among different authors.

| S-EPMC9299308 | biostudies-literature

Automated Writing Assessments Measure Undergraduate Learning after Completion of a Computer-Based Cellular Respiration Tutorial.

Project description:The focus of biology education has shifted from memorization to conceptual understanding of core biological concepts such as matter and energy relationships. To examine undergraduate learning about matter and energy, we incorporated constructed-response (CR) questions into an interactive computer-based tutorial. The objective of this tutorial is to teach students about matter and energy and help dispel common misconceptions through the context of cellular respiration. We used a constructed-response classifier (CRC) tool to categorize ideas in responses to three CR questions and measure changes in student thinking about cellular respiration. Our data set includes 841 undergraduates from 19 geographically diverse institutions including two-year colleges, primarily undergraduate institutions, and research-intensive colleges and universities. We found students from all institution types included more scientific ideas in CRs post-tutorial. Students used an average of 2.1 ideas in CRs and frequently used both scientific and developing ideas. We found this mixed thinking persisted after the tutorial regardless of institution type. Students' multiple-choice (MC) selections were correlated with their CRs, but CRs revealed more mixed thinking than would be inferred from MC responses. Our study shows a CRC tool can measure student learning after a computer-based tutorial and provides more complete information than MC responses.

| S-EPMC8715822 | biostudies-literature

Finding non-crystallographic symmetry in density maps of macromolecular structures.

Project description:The internal symmetry of a macromolecule is both an important aspect of its function and a useful feature in obtaining a structure by X-ray crystallography and other techniques. A method is presented for finding internal symmetry and other non-crystallographic symmetry in a structure based on patterns of density in a density map for that structure. Regions in map that are similar are identified by cutting out a sphere of density from a region that has high local variation and using an FFT-based correlation search to find other regions that match. The relationships among correlated regions are then refined to maximize their correlations and are found to accurately represent non-crystallographic symmetry in the map.

| S-EPMC3757268 | biostudies-literature

Interlocutors' Age Impacts Teenagers' Online Writing Style: Accommodation in Intra- and Intergenerational Online Conversations.

Project description:The present study examines how teenagers adapt their language use to that of their conversation partner (i.e., the linguistic phenomenon of accommodation) in interactions with peers (intragenerational communication) and with older interlocutors (intergenerational communication). We analyze a large corpus of Flemish teenagers' conversations on Facebook Messenger and WhatsApp, which appear to be highly peer-oriented. With Poisson models, we examine whether the teenage participants adjust their writing style to older interlocutors. The same trend emerges for three sets of prototypical markers of the informal online genre: teenagers insert significantly fewer of these markers when interacting with older interlocutors, thus matching their interlocutors' style and increasing linguistic similarity. Finally, the analyses reveal subtle differences in accommodation patterns for the distinct linguistic variables with respect to the impact of the teenagers' sociodemographic profiles and their interlocutors' age.

| S-EPMC8435778 | biostudies-literature

On the validation of crystallographic symmetry and the quality of structures.

Project description:In 2008, Zwart and colleagues observed that the fraction of the structures deposited in the PDB alleged to have "pseudosymmetry" or "special noncrystallographic symmetry" (NCS) was about 6%, and that this percentage was rising annually. A few years later, Poon and colleagues found that 2% of all the crystal structures in the PDB belonged to higher symmetry space groups than those assigned to them. Here, I report an analysis of the X-ray diffraction data deposited for this class of structures, which shows that most of the "pseudosymmetry" and "special NCS" that has been reported is in fact true crystallographic symmetry (CS). This distinction is important because the credibility of crystal structures depends heavily on quality control statistics such as Rfree that are unreliable when they are computed incorrectly, which they often are when CS is misidentified as "special NCS" or "pseudosymmetry". When mistakes of this kind are made, artificially low values of Rfree can give unjustified confidence in the accuracy of the reported structures.

| S-EPMC4420513 | biostudies-literature

Symmetry of antiferroelectric crystals crystallized in polar point groups.

Project description:Symmetry is an essential concept in physics, chemistry and materials science. Comprehensive, authoritative and accessible symmetry theory can provide a strong impetus for the development of related materials science. Through the sustained efforts of physicists and crystallographers, researchers have mastered the relationship between structural symmetry and ferroelectricity, which demands crystallization in the 10 polar point groups. However, the symmetry requirement for antiferroelectricity is still ambiguous, and polar crystals possessing antiferroelectricity seem contradictory. This work systematically and comprehensively studies the transformation of dipole moments under symmetry operations, using accessible geometric methods and group theory. The results indicate crystals that crystallize in polar point groups 2 (C 2), m (C 1h), mm2 (C 2v), 4 (C 4), 4mm (C 4v), 3m (C 3v), 6 (C 6) and 6mm (C 6v) also possess anti-polar structure and are capable of Kittel-type antiferroelectricity. The anti-polar direction of each point group is also highlighted, which could provide a straightforward guide for antiferroelectric property measurement. Like ferroelectric crystals, antiferroelectric crystals belonging to polar point groups have great potential to become a family of important multifunctional electroactive and optical materials. This contribution refines antiferroelectric theory, will help facilitate and stimulate the discovery and rational design of novel antiferroelectric crystals, and enrich the potential functional applications of antiferroelectric materials.

| S-EPMC9252155 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data