●●● physical properties in the PAULING FILE

●● features

The Physical Properties section of the PAULING FILE collects experimental and calculated data for a broad range of intrinsic physical properties of inorganic compounds (see below). When relevant, the entries contain information about synthesis and sample preparation, as well as information that helps to establish the links to Phase Diagram and Crystal Structure entries, such as colloquial names, crystallographic data, limits of stability with respect to temperature, pressure or composition.

The properties are stored in four different ways:
● numerical data and experimental details defining their determination
● description of figures (Y vs. X)
● property classes such as superconductor, ferroelectric, etc.
● codes indicating the existence of particular data, e.g. spectra
Symbols recommended by the Handbook of Chemistry and Physics [1] are used throughout the database; numerical values are given in as-published units and SI units. Only symbols and units previously defined in ancillary tables can be used.

● concept


● example

●● data selection

Data are taken from primary literature. Each database entry corresponds to one combination inorganic phase - publication, but can contain several numerical values, figure descriptions, and references to additional data. For an investigation of a compound through a temperature- or pressure-induced structural phase transition there will be two database entries, e.g. one for the rt modification and one for the lt modification. When no information is provided in the paper, ferroelectric transitions are by default considered to be accompanied by structural changes, magnetic, electric or superconducting transitions not. For a complete solid solution between two binary compounds, three database entries will be created: one for each binary border compound and one for the ternary system.

An indicative list of properties selected for the PAULING FILE is given below.

●●● statistics

●● distribution according to journal

●● distribution according to publication year

91'134 database entries processed 06.2012

●● distribution according to chemical class

● 1 or 2 elements	● 3 elements	● 4 or more elements
34'889	30'627	25'618

●● distribution according to property class

● property class 1 mechanical properties 2 thermal and thermodynamic properties 3 electronic and electrical properties 4 optical properties 5 ferroelectric properties 6 magnetic properties 7 superconductor properties ● data category from bottom to top: - numerical values - figure descriptions - additional data

●●● list of properties

Below are listed the main properties considered in the PAULING FILE, grouped into categories.

+ phase transitions
+ mechanical properties
+ thermal and thermodynamic properties
+ electronic and electrical properties
+ optical properties
+ ferroelectric properties
+ magnetic properties
+ superconductor properties


references

[1] Handbook of Chemistry and Physics, 78th edition, Eds. D.R. Lide, H.P.R. Frederikse, Boca Raton: CRC Press, 1997 and more recent editions.