Package: zefram
A convenent, pythnonic way of interacting with data from the [IZA Database of Zeolite Structures](http://www.iza-structure.org/databases/).DependenciesSQLAlchemynumpyInstallationSimplest way to installzeframis withpip:pipinstallzeframUsageThe package exposes a simple API to access the database.frameworkmethod
acceps either three letter framework codes such asAFIorMFIor a list of
such strings returning aFrameworkobject (or list of objects). The example
below shows also the accessible attributes of theFrameworkobject>>>fromzeframimportframework>>>afi=framework('AFI')>>>sorted(list(afi.__dict__.keys()))['_sa_instance_state','_spacegroup_id','a','accessible_area','accessible_area_m2pg','accessible_volume','accessible_volume_pct','alpha','atoms','b','beta','c','cages','channel_dim','channels','cif','code','connections','framework_density','gamma','id','isdisordered','isinterrupted','junctions','lcd','maxdsd_a','maxdsd_b','maxdsd_c','maxdsi','name','occupiable_area','occupiable_area_m2pg','occupiable_volume','occupiable_volume_pct','pld','portals','rdls','sbu','specific_accessible_area','specific_occupiable_area','td10','topological_density','tpw_abs','tpw_pct','url_iza','url_zeomics']DataAttributeTypeCommentData Sourceafloataunit cell length in Angstroms[1]bfloatbunit cell length in Angstroms[1]cfloatcunit cell legth in Angstroms[1]alphafloatalphaunit cell angle in degrees[1]betafloatcunit cell angle in degrees[1]gammafloatcunit cell angle in degrees[1]codestrthree letter framework code[1]namestrname of the framework in english[1]atomsintnumber of atoms in the unit cell[2]portalsintnumber of portals in the unit cell[2]cagesintnumber of cages in the unit cell[2]channelsintnumber of channels in the unit cell[2]junctionsintnumber of junctions in the unit cell[2]connectionsintnumber of connections in the unit cell[2]tpv_absfloattotal pore volume in cm^3/g[2]tpv_relfloatrelative total pore volume in %[2]lcdfloatlargest cavity diameter in Angstrom[2]pldfloatpore limiting diameter in Angstrom[2]accessible_areafloataccessible area in Angstrom^2[1]accessible_area_m2pgfloataccessible area in m^2/g[1]accessible_volumefloataccessible volume in Angstrom^3[1]accessible_volume_pctfloataccessible volume in %[1]channel_dimintchannel dimensionality[1]cifstrcif file contents[1]framework_densityfloatnumber of T-atoms per 1000 Angstrom^3[1]isinterrruptedboolinterrrupted framework[1]isdisorderedbooldisordered framework[1]maxdsd_afloatmaximum diameter of a sphere that can
diffuse alonga[1]maxdsd_bfloatmaximum diameter of a sphere that can
diffuse alongb[1]maxdsd_cfloatmaximum diameter of a sphere that can
diffuse alongc[1]maxdsifloatmaximum diameter of a sphere that can be
included[1]occupiable_areafloatoccupiable area in Angstrom^2[1]occupiable_area_m2pgfloatoccupiable area in m^2/g[1]occupiable_volumefloatoccupiable volume in Angstrom^3[1]occupiable_volume_pctfloatoccupiable volume in %[1]specific_accessible_areafloataccessible area per unit volume in m^2/cm^3[1]specific_occupiable_areafloatoccupiable area per unit volume in m^2/cm^3[1]td10floatapproximate topological density[1]topological_densityfloattopological density[1]url_izastrlink to the source[1]for this frameworkurl_zeomicsstrlink to the source[2]for this framework[1](1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30)IZA database of zeolite structures[2](1,2,3,4,5,6,7,8,9,10,11)ZEOMICS databaseLicenseThe MIT License (MIT)Copyright (c) 2015 Lukasz MentelPermission is hereby granted, free of charge, to any person obtaining a copyof this software and associated documentation files (the “Software”), to dealin the Software without restriction, including without limitation the rightsto use, copy, modify, merge, publish, distribute, sublicense, and/or sellcopies of the Software, and to permit persons to whom the Software isfurnished to do so, subject to the following conditions:The above copyright notice and this permission notice shall be included in allcopies or substantial portions of the Software.THE SOFTWARE IS PROVIDED “AS IS”, WITHOUT WARRANTY OF ANY KIND, EXPRESS ORIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THEAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHERLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THESOFTWARE.