1.
PubChem
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PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information, a component of the National Library of Medicine, PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be downloaded via FTP. PubChem contains substance descriptions and small molecules with fewer than 1000 atoms and 1000 bonds, more than 80 database vendors contribute to the growing PubChem database. PubChem consists of three dynamically growing primary databases, as of 28 January 2016, Compounds,82.6 million entries, contains pure and characterized chemical compounds. Substances,198 million entries, contains also mixtures, extracts, complexes, bioAssay, bioactivity results from 1.1 million high-throughput screening programs with several million values. PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments. In the text search form the database fields can be searched by adding the name in square brackets to the search term. A numeric range is represented by two separated by a colon. The search terms and field names are case-insensitive, parentheses and the logical operators AND, OR, and NOT can be used. AND is assumed if no operator is used, example,0,5000,50,10 -5,5 PubChem was released in 2004. The American Chemical Society has raised concerns about the publicly supported PubChem database and they have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the societys revenue. To advocate their position against the PubChem database, ACS has actively lobbied the US Congress, soon after PubChems creation, the American Chemical Society lobbied U. S. Congress to restrict the operation of PubChem, which they asserted competes with their Chemical Abstracts Service

2.
Chemical formula
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These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a name, and it contains no words. Although a chemical formula may imply certain simple chemical structures, it is not the same as a full chemical structural formula. Chemical formulas can fully specify the structure of only the simplest of molecules and chemical substances, the simplest types of chemical formulas are called empirical formulas, which use letters and numbers indicating the numerical proportions of atoms of each type. Molecular formulas indicate the numbers of each type of atom in a molecule. For example, the formula for glucose is CH2O, while its molecular formula is C6H12O6. This is possible if the relevant bonding is easy to show in one dimension, an example is the condensed molecular/chemical formula for ethanol, which is CH3-CH2-OH or CH3CH2OH. For reasons of structural complexity, there is no condensed chemical formula that specifies glucose, chemical formulas may be used in chemical equations to describe chemical reactions and other chemical transformations, such as the dissolving of ionic compounds into solution. A chemical formula identifies each constituent element by its chemical symbol, in empirical formulas, these proportions begin with a key element and then assign numbers of atoms of the other elements in the compound, as ratios to the key element. For molecular compounds, these numbers can all be expressed as whole numbers. For example, the formula of ethanol may be written C2H6O because the molecules of ethanol all contain two carbon atoms, six hydrogen atoms, and one oxygen atom. Some types of compounds, however, cannot be written with entirely whole-number empirical formulas. An example is boron carbide, whose formula of CBn is a variable non-whole number ratio with n ranging from over 4 to more than 6.5. When the chemical compound of the consists of simple molecules. These types of formulas are known as molecular formulas and condensed formulas. A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the formula for glucose is C6H12O6 rather than the glucose empirical formula. However, except for very simple substances, molecular chemical formulas lack needed structural information, for simple molecules, a condensed formula is a type of chemical formula that may fully imply a correct structural formula. For example, ethanol may be represented by the chemical formula CH3CH2OH

3.
Melting point
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The melting point of a solid is the temperature at which it changes state from solid to liquid at atmospheric pressure. At the melting point the solid and liquid phase exist in equilibrium, the melting point of a substance depends on pressure and is usually specified at standard pressure. When considered as the temperature of the change from liquid to solid. Because of the ability of some substances to supercool, the point is not considered as a characteristic property of a substance. For most substances, melting and freezing points are approximately equal, for example, the melting point and freezing point of mercury is 234.32 kelvins. However, certain substances possess differing solid-liquid transition temperatures, for example, agar melts at 85 °C and solidifies from 31 °C to 40 °C, such direction dependence is known as hysteresis. The melting point of ice at 1 atmosphere of pressure is close to 0 °C. In the presence of nucleating substances the freezing point of water is the same as the melting point, the chemical element with the highest melting point is tungsten, at 3687 K, this property makes tungsten excellent for use as filaments in light bulbs. Many laboratory techniques exist for the determination of melting points, a Kofler bench is a metal strip with a temperature gradient. Any substance can be placed on a section of the strip revealing its thermal behaviour at the temperature at that point, differential scanning calorimetry gives information on melting point together with its enthalpy of fusion. A basic melting point apparatus for the analysis of crystalline solids consists of an oil bath with a transparent window, the several grains of a solid are placed in a thin glass tube and partially immersed in the oil bath. The oil bath is heated and with the aid of the melting of the individual crystals at a certain temperature can be observed. In large/small devices, the sample is placed in a heating block, the measurement can also be made continuously with an operating process. For instance, oil refineries measure the point of diesel fuel online, meaning that the sample is taken from the process. This allows for more frequent measurements as the sample does not have to be manually collected, for refractory materials the extremely high melting point may be determined by heating the material in a black body furnace and measuring the black-body temperature with an optical pyrometer. For the highest melting materials, this may require extrapolation by several hundred degrees, the spectral radiance from an incandescent body is known to be a function of its temperature. An optical pyrometer matches the radiance of a body under study to the radiance of a source that has been previously calibrated as a function of temperature, in this way, the measurement of the absolute magnitude of the intensity of radiation is unnecessary. However, known temperatures must be used to determine the calibration of the pyrometer, for temperatures above the calibration range of the source, an extrapolation technique must be employed

4.
Crystal structure
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In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes the pattern is the unit cell of the structure. The unit cell completely defines the symmetry and structure of the crystal lattice. The repeating patterns are said to be located at the points of the Bravais lattice, the lengths of the principal axes, or edges, of the unit cell and the angles between them are the lattice constants, also called lattice parameters. The symmetry properties of the crystal are described by the concept of space groups, all possible symmetric arrangements of particles in three-dimensional space may be described by the 230 space groups. The crystal structure and symmetry play a role in determining many physical properties, such as cleavage, electronic band structure. The crystal structure of a material can be described in terms of its unit cell, the unit cell is a box containing one or more atoms arranged in three dimensions. The unit cells stacked in three-dimensional space describe the arrangement of atoms of the crystal. Commonly, atomic positions are represented in terms of fractional coordinates, the atom positions within the unit cell can be calculated through application of symmetry operations to the asymmetric unit. The asymmetric unit refers to the smallest possible occupation of space within the unit cell and this does not, however imply that the entirety of the asymmetric unit must lie within the boundaries of the unit cell. Symmetric transformations of atom positions are calculated from the group of the crystal structure. Vectors and planes in a lattice are described by the three-value Miller index notation. It uses the indices ℓ, m, and n as directional parameters, which are separated by 90°, by definition, the syntax denotes a plane that intercepts the three points a1/ℓ, a2/m, and a3/n, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell, if one or more of the indices is zero, it means that the planes do not intersect that axis. A plane containing a coordinate axis is translated so that it no longer contains that axis before its Miller indices are determined, the Miller indices for a plane are integers with no common factors. Negative indices are indicated with horizontal bars, as in, in an orthogonal coordinate system for a cubic cell, the Miller indices of a plane are the Cartesian components of a vector normal to the plane. Likewise, the planes are geometric planes linking nodes

5.
Cubic crystal system
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In crystallography, the cubic crystal system is a crystal system where the unit cell is in the shape of a cube. This is one of the most common and simplest shapes found in crystals and minerals, there are three main varieties of these crystals, Primitive cubic Body-centered cubic, Face-centered cubic Each is subdivided into other variants listed below. Note that although the cell in these crystals is conventionally taken to be a cube. This is related to the fact that in most cubic crystal systems, a classic isometric crystal has square or pentagonal faces. The three Bravais lattices in the crystal system are, The primitive cubic system consists of one lattice point on each corner of the cube. Each atom at a point is then shared equally between eight adjacent cubes, and the unit cell therefore contains in total one atom. The body-centered cubic system has one point in the center of the unit cell in addition to the eight corner points. It has a net total of 2 lattice points per unit cell, Each sphere in a cF lattice has coordination number 12. The face-centered cubic system is related to the hexagonal close packed system. The plane of a cubic system is a hexagonal grid. Attempting to create a C-centered cubic crystal system would result in a simple tetragonal Bravais lattice, there are a total 36 cubic space groups. Other terms for hexoctahedral are, normal class, holohedral, ditesseral central class, a simple cubic unit cell has a single cubic void in the center. Additionally, there are 24 tetrahedral voids located in a square spacing around each octahedral void and these tetrahedral voids are not local maxima and are not technically voids, but they do occasionally appear in multi-atom unit cells. A face-centered cubic unit cell has eight tetrahedral voids located midway between each corner and the center of the cell, for a total of eight net tetrahedral voids. One important characteristic of a structure is its atomic packing factor. This is calculated by assuming all the atoms are identical spheres. The atomic packing factor is the proportion of space filled by these spheres, assuming one atom per lattice point, in a primitive cubic lattice with cube side length a, the sphere radius would be a⁄2 and the atomic packing factor turns out to be about 0.524. Similarly, in a bcc lattice, the atomic packing factor is 0.680, as a rule, since atoms in a solid attract each other, the more tightly packed arrangements of atoms tend to be more common

6.
Space group
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In mathematics, physics and chemistry, a space group is the symmetry group of a configuration in space, usually in three dimensions. In three dimensions, there are 219 distinct types, or 230 if chiral copies are considered distinct, Space groups are also studied in dimensions other than 3 where they are sometimes called Bieberbach groups, and are discrete cocompact groups of isometries of an oriented Euclidean space. In crystallography, space groups are called the crystallographic or Fedorov groups. A definitive source regarding 3-dimensional space groups is the International Tables for Crystallography, in 1879 Leonhard Sohncke listed the 65 space groups whose elements preserve the orientation. More accurately, he listed 66 groups, but Fedorov and Schönflies both noticed that two of them were really the same, the space groups in 3 dimensions were first enumerated by Fedorov, and shortly afterwards were independently enumerated by Schönflies. The correct list of 230 space groups was found by 1892 during correspondence between Fedorov and Schönflies, burckhardt describes the history of the discovery of the space groups in detail. The space groups in three dimensions are made from combinations of the 32 crystallographic point groups with the 14 Bravais lattices, the combination of all these symmetry operations results in a total of 230 different space groups describing all possible crystal symmetries. The elements of the space group fixing a point of space are rotations, reflections, the identity element, the translations form a normal abelian subgroup of rank 3, called the Bravais lattice. There are 14 possible types of Bravais lattice, the quotient of the space group by the Bravais lattice is a finite group which is one of the 32 possible point groups. Translation is defined as the moves from one point to another point. A glide plane is a reflection in a plane, followed by a parallel with that plane. This is noted by a, b or c, depending on which axis the glide is along. There is also the n glide, which is a glide along the half of a diagonal of a face, and the d glide, the latter is called the diamond glide plane as it features in the diamond structure. In 17 space groups, due to the centering of the cell, the glides occur in two directions simultaneously, i. e. the same glide plane can be called b or c, a or b. For example, group Abm2 could be also called Acm2, group Ccca could be called Cccb, in 1992, it was suggested to use symbol e for such planes. The symbols for five groups have been modified, A screw axis is a rotation about an axis. These are noted by a number, n, to describe the degree of rotation, the degree of translation is then added as a subscript showing how far along the axis the translation is, as a portion of the parallel lattice vector. So,21 is a rotation followed by a translation of 1/2 of the lattice vector