Input Compounds Form, Conventions

This input compounds form provides a facility of retrieval of those compounds which will be respectively input by users on the basis of convetions.

Retrieval in MALT(Menu Search by Compound Menu Get Compounds Menu Append Compounds) can be made in two different ways:

  1. One is to input chemical formulae (see above);
  2. The other is to specify the elements to be involved together with the selected retrieval mode using Element Selection Form.

Convention for Input Compound Name

To input chemical formulae, MALT adopts the following conventions:

  1. In MALT, no subscript nor superscript is used. From this requirement, the charge should be always given after the sign (+) or (-) like Fe+3; note that this is against the normal convention that the charge number is put before the sign.
  2. complex chemical formulae can be set up by using "*" as combining two formulae.
  3. As coefficient of one chemical formula in the complex chemical formula, non integer value such as 1/2 can be also used.
  4. Chemical formula consists of a set of elements and their stoichiometric numbers. Element shoulbe given using the upper and lower characters like C or Co. Note that CO means carbon monoxide, whereas Co is cobalt.
  5. The stoichiometric number of unity can be omitted in the normal manner like Fe, Ca.
  6. The appearance sequence of element does not affect the retrieval. The input of "FeO4S" leads to correctly retrieval of FeSO4.
  7. The nonstoichiometric number can be allowed. Even so, the given stoichiometric number should be equal to that given in the MALT database. To know the exact value of the particular compound, it is highly suggested to retrieve first by the retrieval mode (1) in the selected system. For example, retrieval by <Fe,O> shows that Fe0.947O is available in the MALT database so that "Fe0.947O" can be used for the present input compounds form.
  8. Even so, the stoichiometric number in one chemical formula cannot be given as a fraction using the slash"/".
  9. The order of elements in a chemical formula does not provide any differences in retrieval mode. For example, FeSO4 is essentially the same as FeO4S and the compound of "FeSO4" appears in the compound table.

These conventions are used also in the compilation/edition of input user data (see Define User Data Form; Menu User Data/Add a New Compound; Menu User Data/Edit A Compound; ) in addition to Menu Search by Compound

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