What's new in WWW-MINCRYST


Changes in Informational Fund
(minerals which were added, corrected or revised)
Last 3 months Last Month Last Week

WWW-MINCRYST is developed as complex and universal Crystallographic and Crystallochemcal Database
for minerals (native and synthetic) and their structural analogues


2017 year

  1. October 2017 - 80 new entries are added
  2. July 2017 - 80 new entries are added
  3. June 2017 - 118 new entries are added
  4. February 2017 - 35 new entries are added

2016 year

  1. December 2016 - 81 new entries are added
  2. November 2016 - 130 new entries are added (63 new unique phases), also more then 60 phases are fully revised
  3. August 2016 - 116 new entries are added (57 new unique phases)
  4. May 2016 - 120 new entries are added (30 unique phases)

2015 year

  1. December 2015 - 112 new entries are added
    Level in 4000 unique phases is reached!!!!
  2. October 2015 - introduced 75 new entries
  3. June 2015 - introduced 203 new entries
  4. Jan-Jun - Renewed (edition, recalculation, correction) - more than 500 information cards

2014 year

  1. Renewed (edition, recalculation, correction) during 2014 - more then 290 information cards
  2. Dec 2014 - - introduced 265 new entries. The number of data cards in the WWW-Mincryst has exceeded 9000, and the number of unique phases in the database has reached 3900
  3. May 2014 - - introduced 202 new entries.
  4. The problem of work of applets 'WWW-Crystpic' and 'WWW-Mixipol' due to paranoid system of safety of Java is eliminated (partially). Features of settings - here.
  5. We continue to add classification's parameters by Bokii G.V.
  6. Statistics of visitor for 2013 year will be present at February, 2014 due to log file error (old disk crush but remain readable)

2013 year

  1. 25 Dec 2013 - for 280 cards lattice energies was added
  2. 20 Dec 2013 - introduced 107 new entries
  3. We begin to introduce classification's parameters by Bokii G.V.
  4. Recompiled applets WWW-Crystpic and WWW-Mixipol (under Java 7) was prepared for use
  5. 15 Jun 2013 - introduced 263 new entries
  6. New statistics of visitor for 2012 year is placed to 'Statistic chapter'

2012 year

  1. 20 Dec 2012 - introduced 264 new entries.
  2. 10 Aug 2012 - introduced 120 new entries.
  3. 14 Jul 2012 - Fixed a bug in the formation of some of the BDI file blocking the painting of structures with single atoms of hydrogen
  4. 16 Jan 2012 - 175 new records is added
  5. New statistics of visitor for 2011 year is placed to 'Statistic chapter'

2011 year

  1. The schedule on increasing of Informational Fund Local and WWW-variants MINCRYST is fulfilled. 145 new records are entered. On record count MINCRYST has passed for a 7,5-thousand boundary and for July, 22, 2011 includes 7675 records.

2010 year

  1. The schedule on increasing of Informational Fund Local and WWW-variants MINCRYST is fulfilled. 250 new records are entered. On record count MINCRYST has passed for a 7,5-thousand boundary and for January, 1st, 2010 includes 7530 records.
  2. During the current year the main calculation program XRAYPOL (it is realised as Java applet) is debugged and verified on the validity of calculations within the limits of 350 Space Groups. The main Base File (BDM) and its satellites (BDI, BDQ-Co, BDQ-Cu, BDP, INF) are calculated on new (WWW)-XRAYPOL package and are imported in WWW-MINCRYST under the upgraded program of import on new Database server of IEM RAS. Card number is henceforth formed at creation of a new card in WWW-MINCRYST (under mySQL rules).
    Program XRAYPOL is finished and now with usage of the new universal program (WWW)-XRAYPOL calculations of all incoming (BDM) and auxiliary files (BDQ-Co, BDQ-Cu, BDI, BDP, INF, DAT) are possible. Besides, XRAYPOL allows to edit a base BDM-file and an auxiliary DAT-file. This chain of calculations is intended for updated base BDM-files. Now the program is realised in the form of a local applet (it is started in a browser window), allows to spend both individual, and group calculations (up to total volume of Fund), its integration in WWW-MINCRYST where it will be opened for the International User is spent.
    So, Developer's toolkit of WWW-MINCRYST (being in off-line) allows to function WWW-MINCRYST in a usual static mode. Each card is provided with calculated incoming imported files and, by means of WWW-MIXIPOL and WWW-CRYSTPIC, concrete model of crystalline structure and the concrete roentgenogram. New modifed universal XRAYPOL package allows to edit base BDM-files and to make, on the basis of already updated base files, all necessary calculations on WWW-MIXIPOL and WWW-CRYSTPIC. Thus, calculations become dynamical. For example, in the near future the User can change population of positions of structure of a concrete mineral, i.e., change its structure, editing a BDM-file, and to receive the updated calculated roentgenogram which further to compare to the experimental. These possibilities are realised as off-line applets and now integrated in on-line version of MINCRYST.
  3. On base of Informational Fund of MINCRYST (7.5 thousand crystalline structures) and the universal own calculation complex some structures in a new MODE (see below fig/1-4 and 5-8) have allowed us to consider presence. New XRAYPOL it is good both for new forms of the models, and for traditional, revealing in last especial details of structures by means of flexible usage of polyhedras. And actually in the automatic mode to FORM various variants of structural models of minerals. The specified chain of calculations allows to do it.
    THE CRYSTALLINE SPACE CAN BE ORGANIZED IN THE MIXED SPHERICAL AND POLYHEDRA MODE ON THE BASIS OF ANY ATOMS IN STRUCTURE, NOT STRICTLY BEING ANCHORED TO TRADITIONAL CATIONIC-ANIONIC MODE
    The method is especially effective for difficult "wrong" oxygen-free structures (for example, phosphides, complicate sulphides, etc.).
    Major principle of such approach: ANY ATOM (or some atoms) CAN be SELECTED from STRUCTURE as CONVENTIONAL "CATION", and the others to consider as "ANIONS". Below we give an example calculations of models of structure TUCEKITE in the traditional and new image (clicking on picture will give the magnified image in a new window).
    Let's notice thus that the final form of the structural map is influenced by a choice: CRITERION OF THE FINITE CHOICE OF MODEL OF STRUCTURE    -    C L E A R N E S S    AND     B E A U T Y !

Variants of NEW forms of a graphics image of model of structure of a mineral TUCEKITE


TUCEKITE-1: CATIONS - Antimony (two positions)

TUCEKITE-2: CATIONS - Antimony and nickel (on single positions)

TUCEKITE-3: "PSEUDOCATIONS"(the co-ordinator of space) - sulphur (two positions)

TUCEKITE-4: CATIONS - Antimony and Nickel
Sb - without holyhedra

Variants of TRADITIONAL forms of a graphics image of model of structure of a mineral TUCEKITE


TUCEKITE-1: CATIONS - Antimony and nickel

TUCEKITE-2: CATIONS - Antimony and nickel (Ni polyherda is hidden)

TUCEKITE-3: CATIONS - Antimony and nickel (Sb polyherda is hidden)

TUCEKITE-4: CATIONS - Antimony and Nickel
Sb - without holyhedra

2008 year

  1. The schedule on increase in Informational Fund for Local and WWW-variants of MINCRYST is fulfilled. 320 new records are entered. On record count MINCRYST has passed for 7 thousand boundary and for January, 1st, 2009 includes 7280 records.
  2. The new format of the Information Card on a mineral is developed. Three parts are selected and there is a preparation for implementation of new appearance of WWW-MINCRYST:
    (a) Main Basic Data (MAIN DATA);
    (b) Additional data, including Calculated crystallography and crystallochemistry data (ADDITIONAL DATA);
    (c) ONLINE Program Package (Java-applets) - MIXIPOL, CRYSTPIC (3D), XRAYPOL
  3. Procedure of check imported in Local and WWW-variant of records (under card and filename number) which allows to save complete identity of their funds and persistence of numbers of cards on minerals is specially developed
  4. The necessary amount of works on upgrade of the Software package of the Developer is fulfilled.
    The main calculation program XRAYPOL (Java applet) is debugged and verified on the validity of calculations within the ranges of 350 Space Groups.
    The main Base File (BDM) and its satellites (BDI, BDQ-Co, BDQ-Cu, BDP, INF) are calculated under new WWW-XRAYPOL and are imported in WWW-MINCRYST using the upgraded program of import on a new Database Server of IEM RAS.
  5. Now under the new universal program of WWW-XRAYPOL calculations of all incoming and satellite (BDQ-Co, BDQ-Cu, BDI, BDP, INF, DAT) files for WWW-MIXIPOL and WWW-CRYSTPIC programs are organised. Besides, XRAYPOL allows to edit a base BDM-file and an auxiliary DAT-file. This chain of calculations is intended for updated base BDM-files and will be built in MINCRYST and opened for the International User.
  6. In first half of 2008 server's software of WWW-MINCRYST is completely adapted for operation on a new Database server of IEM RAS (Intel CoreDuo 2 1.8 GHz, 2 Gb RAM, ~1 Tb HDD)

2007 year

  1. Plan on increasing of Information Fund of Local and WWW-variants, extracting as from special literature, as from electron forms of special files and special journals accessible by way of INTERNET, is performed.
    It is entered more 300 new records. Now, in all, WWW-MINCRYST contains 6950 records.
  2. Full identification of Information Fund of Local and WWW-variants using Global Import of records from Local variants into WWW-variants, - is realized.
    More than 40000 files [(BDM, BDI, BDQ-Co, BDQ-Cu, BDP, INF) x 7000] are calculated and entered into MINCRYST. Occurred "scissors" - the collected distinctions in names of files and numbers of cards of both variants - have been liquidated. Information Funds of both variants of MINCRYST are made really identical. The real possibility to make WWW-MINCRYST-Card with constant number is opened. Both of variants of MINCRYST are quite necessary. It is dictated with orientation of Program Package of Developer on the Local variant.
  3. The transference of the Program Package of the Developer in frameworks of WWW-MINCRYST is realized. Final aim is the transference of a part of credentials and calculations of the Developer to the International User. With this purpose the Java-version of main calculating program bunch WWW-(TRANS + XRAYPOL) is developed for introduction into WWW-MINCRYST.
  4. Program-dispatcher WWW-MINCALC is developed now. Dispatcher will be carry out, within the frames of WWW-MINCRYST using bunch WWW-(TRANS+XRAYPOL), interactive calculations of all entrance and auxiliary files (BDQ-Co, BDQ-Cu, BDI, BDP, INF, TRANS.DAT) for already built in WWW-MINCRYST programs WWW-MIXIPOL and WWW-CRYSTPIC. Dispatcher will be accessible to User for execution of direct calculations of modified models Crystal Structures and Powder Diffraction Patterns (full profile).
  5. In connection with built in WWW-MINCRYST new program elements has been performed necessary volume of work on perfection English-Language and Russian-Language interfaces.
  6. The work on edition of Information Fund and concordance of Mineral Names conformity with nomenclature IMA also has been proceeded.
  7. In IV-th quarter 2007 the new server of Databases of the Institute of Experimental Mineralogy of the Russian Academy of Science has been bought and established. Accordingly WWW-MINCRYST-program-server maintenance is transferred on a new server, that certainly promotes a reliable constancy of access of the International User to WWW-MINCRYST.

2006 year


2005 year


2004 year