Data · dataset · 2015
Data for "Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics"
Listed in University of Bath Research Data Archive
Raw data to accompany the paper "Sulfamerazine: Understanding the influence of slip-planes in the polymorphic phase transformation through X-ray crystallographic studies and ab initio lattice dynamics".
Links
Where it is published
- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/6/Calc_Form-I/Form-I_PBE-D2_EoS.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/8/Calc_Form-I/Form-I_PBEsol_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/9/Calc_Form-I/Form-I_PBE_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/10/Calc_Form-I/Form-I_PBE-D2_Veq-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/11/Calc_Form-I/Form-I_PBE-D2_ModeFollow-Relaxed_Phonon.tar… ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/12/Calc_Form-I/Form-I_PBEsol_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/13/Calc_Form-I/Form-I_PBE-D2_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/14/Calc_Form-I/Form-I_PBEsol_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/15/Calc_Form-I/Form-I_PBE-D2_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/16/Calc_Form-I/Form-I_PBE_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/17/Calc_Form-I/Form-I_PBE_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/18/Calc_Form-II/Form-II_PBE-D2_EoS.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/19/Calc_Form-II/Form-II_PBE-D2_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/20/Calc_Form-II/Form-II_PBE-D2_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/21/Calc_Form-II/Form-II_PBE_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/22/Calc_Form-II/Form-II_PBE_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/23/Calc_Form-II/Form-II_PBEsol_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/24/Calc_Form-II/Form-II_PBE_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/25/Calc_Form-II/Form-II_PBE-D2_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/26/Calc_Form-II/Form-II_PBEsol_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/27/Calc_Form-II/Form-II_PBE-D2_ModeFollow-Relaxed_Phonon.t… ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/28/Calc_Form-II/Form-II_PBE-D2_Veq-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/29/Calc_Form-II/Form-II_PBEsol_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/30/Calc_Form-III/Form-III_PBEsol_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/31/Calc_Form-III/Form-III_PBE-D2_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/33/Calc_Form-III/Form-III_PBE_ModeFollow-Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/34/Calc_Form-III/Form-III_PBE-D2_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/35/Calc_Form-III/Form-III_PBE-D2_ModeFollow-Relaxed_Phonon… ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/36/Calc_Form-III/Form-III_PBE_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/37/Calc_Form-III/Form-III_PBE-D2_Veq_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/38/Calc_Form-III/Form-III_PBEsol_Relaxed.vasp ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/39/Calc_Form-III/Form-III_PBE_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/40/Calc_Form-III/Form-III_PBE-D2_EoS.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/41/Calc_Form-III/Form-III_PBEsol_Relaxed_Phonon.tar.gz ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/42/Exp_Form-I/Synchrotron_Form-I_190K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/45/Exp_Form-I/Synchrotron_Form-I_180K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/46/Exp_Form-I/Synchrotron_Form-I_290K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/47/Exp_Form-I/Synchrotron_Form-I_150K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/48/Exp_Form-I/Synchrotron_Form-I_250K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/50/Exp_Form-I/Synchrotron_Form-I_200K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/51/Exp_Form-I/Synchrotron_Form-I_300K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/52/Exp_Form-I/InHouse_Form-I_250K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/53/Exp_Form-I/Synchrotron_Form-I_170K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/54/Exp_Form-I/Synchrotron_Form-I_160K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/56/Exp_Form-I/Synchrotron_Form-I_240K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/57/Exp_Form-I/InHouse_Form-I_RT.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/58/Exp_Form-I/InHouse_Form-I_200K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/59/Exp_Form-I/Synchrotron_Form-I_280K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/60/Exp_Form-I/Synchrotron_Form-I_230K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/61/Exp_Form-I/Synchrotron_Form-I_220K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/62/Exp_Form-I/Synchrotron_Form-I_210K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/63/Exp_Form-II/InHouse_Form-II_230K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/65/Exp_Form-II/Synchrotron_Form-II_260K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/66/Exp_Form-II/InHouse_Form-II_260K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/67/Exp_Form-II/InHouse_Form-II_200K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/68/Exp_Form-II/Synchrotron_Form-II_230K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/71/Exp_Form-II/Synchrotron_Form-II_220K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/72/Exp_Form-II/Synchrotron_Form-II_300K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/73/Exp_Form-II/InHouse_Form-II_RT.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/74/Exp_Form-II/Synchrotron_Form-II_160K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/75/Exp_Form-II/Synchrotron_Form-II_250K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/76/Exp_Form-II/Synchrotron_Form-II_290K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/77/Exp_Form-II/Synchrotron_Form-II_170K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/78/Exp_Form-II/Synchrotron_Form-II_280K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/79/Exp_Form-II/Synchrotron_Form-II_240K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/81/Exp_Form-II/Synchrotron_Form-II_210K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/82/Exp_Form-II/InHouse_Form-II_175K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/83/Exp_Form-II/InHouse_Form-II_185K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/84/Exp_Form-II/Synchrotron_Form-II_180K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/87/Exp_Form-II/Synchrotron_Form-II_200K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/88/README.rtf ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/80/Exp_Form-II/Synchrotron_Form-II_190K.cif ↗
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- University of Bath Research Data Archive record researchdata.bath.ac.uk/136/7/Calc_Form-I/Form-I_PBE-D2_ModeFollow-Relaxed.vasp ↗
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- DOI doi.org/10.15125/bath-00136 ↗
DOI / persistent id · from researchdata bath ac uk
Catalogue records · 1
- OAI-PMH record researchdata.bath.ac.uk/cgi/oai2?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3… ↗
metadata API · from researchdata bath ac uk
Topics
- From keywords
- Chemistry · Earth & Environmental Science
- Inferred from text
- Macromolecular and materials chemistry 75%
Provenance · 1 source records, 7 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| University of Bath Research Data Archive | oai:researchdata.bath.ac.uk:136 | 2 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3403 | enrichment · researchdata bath ac uk | taxonomy-embedding@1.1.0 | title+keywords+description (75%) |
| concepts[field].local:field:chemistry | mapping · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | |
| description | source · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | /metadata/dc/description |
| license_text | source · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | |
| publication_date | source · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | |
| title | source · researchdata bath ac uk | connector:researchdata_bath_ac_uk@1.0.0 | /metadata/dc/title |