Data for "Chemical and Lattice Stability of the Tin Sulfides"

339 150 6197 2 15503 document 6197 SnXSY_Phases.tar.gz application/x-gzip 26791e12769505f6bc76a727af898d48 MD5 15017550 2017-03-22 14:45:21 https://researchdata.bath.ac.uk/339/1/SnXSY_Phases.tar.gz 339 1 1 application/x-gzip other en public cc_by

SnXSY_Phases.tar.gz

data 6198 1 15506 document 6198 VASP-InputFiles.tar.gz application/x-gzip bb6b4cb5c98f9c744a45e6140ea549bc MD5 1386 2017-03-22 14:45:35 https://researchdata.bath.ac.uk/339/2/VASP-InputFiles.tar.gz 339 2 2 application/x-gzip other en public cc_by

VASP-InputFiles.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6199 1 15508 document 6199 PBEsol-D3_SnS-Pnma.tar.gz application/x-gzip 121e9ec11824c3a876b2fe0531591185 MD5 390441 2017-03-22 14:45:36 https://researchdata.bath.ac.uk/339/3/PBEsol-D3_SnS-Pnma.tar.gz 339 3 3 application/x-gzip other en public cc_by

PBEsol-D3_SnS-Pnma.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6200 1 15510 document 6200 SnS-Rocksalt.tar.gz application/x-gzip f2247013cccc9209da8ed655c753ef09 MD5 1753373 2017-03-22 14:45:37 https://researchdata.bath.ac.uk/339/4/SnS-Rocksalt.tar.gz 339 4 4 application/x-gzip other en public cc_by

SnS-Rocksalt.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6201 1 15512 document 6201 SnS-Cmcm.tar.gz application/x-gzip d9b97d7e3dafd5be55213fc423287271 MD5 321030 2017-03-22 14:45:38 https://researchdata.bath.ac.uk/339/5/SnS-Cmcm.tar.gz 339 5 5 application/x-gzip other en public cc_by

SnS-Cmcm.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6202 1 15514 document 6202 S.vasp text/plain 8637c750f23a6cea4dc56974fbde4fe8 MD5 14372 2017-03-22 14:45:38 https://researchdata.bath.ac.uk/339/6/S.vasp 339 6 6 text/plain other en public cc_by

S.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6203 1 15516 document 6203 Sn-Alpha.vasp text/plain 2d85d0c0a0354d646f1d8cccb93662d4 MD5 1172 2017-03-22 14:45:39 https://researchdata.bath.ac.uk/339/7/Sn-Alpha.vasp 339 7 7 text/plain other en public cc_by

Sn-Alpha.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6204 1 15518 document 6204 PBEsol-D3_Sn-Alpha.vasp text/plain afd72727a709e8101b4f7f95613b8718 MD5 1172 2017-03-22 14:45:39 https://researchdata.bath.ac.uk/339/8/PBEsol-D3_Sn-Alpha.vasp 339 8 8 text/plain other en public cc_by

PBEsol-D3_Sn-Alpha.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6205 1 15520 document 6205 PBEsol-D3_SnS-Zincblende.tar.gz application/x-gzip ed195523c397d06843ebbd97a1251c7f MD5 1912149 2017-03-22 14:45:40 https://researchdata.bath.ac.uk/339/9/PBEsol-D3_SnS-Zincblende.tar.gz 339 9 9 application/x-gzip other en public cc_by

PBEsol-D3_SnS-Zincblende.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6206 1 15522 document 6206 PBEsol-D3_SnS-Rocksalt.tar.gz application/x-gzip 6840b299d14d9a55aee333858e9fc1f4 MD5 1755703 2017-03-22 14:45:41 https://researchdata.bath.ac.uk/339/10/PBEsol-D3_SnS-Rocksalt.tar.gz 339 10 10 application/x-gzip other en public cc_by

PBEsol-D3_SnS-Rocksalt.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6207 1 15524 document 6207 SnS-Pi.tar.gz application/x-gzip 7f1aae516542318ecd5c030b96008608 MD5 1317199 2017-03-22 14:45:41 https://researchdata.bath.ac.uk/339/11/SnS-Pi.tar.gz 339 11 11 application/x-gzip other en public cc_by

SnS-Pi.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6208 1 15526 document 6208 PBEsol-D3_SnS2.tar.gz application/x-gzip 4c5c63d9aecf8af55332ab060ec44219 MD5 278056 2017-03-22 14:45:42 https://researchdata.bath.ac.uk/339/12/PBEsol-D3_SnS2.tar.gz 339 12 12 application/x-gzip other en public cc_by

PBEsol-D3_SnS2.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6209 1 15528 document 6209 PBEsol-D3-BJ_SnS-Cmcm.tar.gz application/x-gzip 4a63f46e584e40e9849629ee2738710c MD5 321683 2017-03-22 14:45:43 https://researchdata.bath.ac.uk/339/13/PBEsol-D3-BJ_SnS-Cmcm.tar.gz 339 13 13 application/x-gzip other en public cc_by

PBEsol-D3-BJ_SnS-Cmcm.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6210 1 15530 document 6210 Sn2S3.tar.gz application/x-gzip b04efa9b8d2cabcb00769f32ff973525 MD5 820293 2017-03-22 14:45:43 https://researchdata.bath.ac.uk/339/14/Sn2S3.tar.gz 339 14 14 application/x-gzip other en public cc_by

Sn2S3.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6211 1 15532 document 6211 PBEsol-D3-BJ_SnS-Pnma.tar.gz application/x-gzip 7cd17f1ffbd7e2fc1a83358196a217dd MD5 392243 2017-03-22 14:45:44 https://researchdata.bath.ac.uk/339/15/PBEsol-D3-BJ_SnS-Pnma.tar.gz 339 15 15 application/x-gzip other en public cc_by

PBEsol-D3-BJ_SnS-Pnma.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6212 1 15534 document 6212 Sn-Beta.vasp text/plain c7367d43c7d7812c526ba02229868f6d MD5 732 2017-03-22 14:45:45 https://researchdata.bath.ac.uk/339/16/Sn-Beta.vasp 339 16 16 text/plain other en public cc_by

Sn-Beta.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6213 1 15536 document 6213 SnS2.tar.gz application/x-gzip fb84897b3fbfc58c3605571c3d1c1b95 MD5 274381 2017-03-22 14:45:46 https://researchdata.bath.ac.uk/339/17/SnS2.tar.gz 339 17 17 application/x-gzip other en public cc_by

SnS2.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6214 1 15538 document 6214 PBEsol-D3_Sn-Beta.vasp text/plain f94a05050692d385cd9cf4f52d968944 MD5 732 2017-03-22 14:45:48 https://researchdata.bath.ac.uk/339/18/PBEsol-D3_Sn-Beta.vasp 339 18 18 text/plain other en public cc_by

PBEsol-D3_Sn-Beta.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6215 1 15540 document 6215 PBEsol-D3-BJ_Sn2S3.tar.gz application/x-gzip b27a94e5345eb64425c9ce7300ca6343 MD5 803231 2017-03-22 14:45:49 https://researchdata.bath.ac.uk/339/19/PBEsol-D3-BJ_Sn2S3.tar.gz 339 19 19 application/x-gzip other en public cc_by

PBEsol-D3-BJ_Sn2S3.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6216 1 15542 document 6216 PBEsol-D3_S.vasp text/plain 4bc59eb2665cde46150eb7a5bce35587 MD5 14372 2017-03-22 14:45:50 https://researchdata.bath.ac.uk/339/20/PBEsol-D3_S.vasp 339 20 20 text/plain other en public cc_by

PBEsol-D3_S.vasp

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6217 1 15544 document 6217 PBEsol-D3_SnS-Pi.tar.gz application/x-gzip e436824a0d9ac3abb1623e906c62ceb2 MD5 1321356 2017-03-22 14:45:51 https://researchdata.bath.ac.uk/339/21/PBEsol-D3_SnS-Pi.tar.gz 339 21 21 application/x-gzip other en public cc_by

PBEsol-D3_SnS-Pi.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6218 1 15546 document 6218 Phonopy-InputFiles.tar.gz application/x-gzip dc7ae57f8dacc296c1ab7644643eafac MD5 927 2017-03-22 14:45:52 https://researchdata.bath.ac.uk/339/22/Phonopy-InputFiles.tar.gz 339 22 22 application/x-gzip other en public cc_by

Phonopy-InputFiles.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6219 1 15548 document 6219 PBEsol-D3_SnS-Cmcm.tar.gz application/x-gzip c96a59ba68e56d6b71b94a999e323448 MD5 321897 2017-03-22 14:45:53 https://researchdata.bath.ac.uk/339/23/PBEsol-D3_SnS-Cmcm.tar.gz 339 23 23 application/x-gzip other en public cc_by

PBEsol-D3_SnS-Cmcm.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6220 1 15550 document 6220 SnS-Zincblende.tar.gz application/x-gzip f9bad4b190b424b94f6dce5c49ba4fec MD5 1911591 2017-03-22 14:45:54 https://researchdata.bath.ac.uk/339/24/SnS-Zincblende.tar.gz 339 24 24 application/x-gzip other en public cc_by

SnS-Zincblende.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6221 1 15552 document 6221 PBEsol-D3_Sn2S3.tar.gz application/x-gzip 9661f04874dfc6ac8df0bccd61ac9c08 MD5 822810 2017-03-22 14:45:54 https://researchdata.bath.ac.uk/339/25/PBEsol-D3_Sn2S3.tar.gz 339 25 25 application/x-gzip other en public cc_by

PBEsol-D3_Sn2S3.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6222 1 15554 document 6222 SnS-Pnma.tar.gz application/x-gzip 98028afe9462eabe67510f20a75971eb MD5 390903 2017-03-22 14:45:55 https://researchdata.bath.ac.uk/339/26/SnS-Pnma.tar.gz 339 26 26 application/x-gzip other en public cc_by

SnS-Pnma.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6223 1 15556 document 6223 PBEsol-D3-BJ_SnS2.tar.gz application/x-gzip 874345263fcf27748d7216ba61427b4a MD5 279588 2017-03-22 14:45:56 https://researchdata.bath.ac.uk/339/27/PBEsol-D3-BJ_SnS2.tar.gz 339 27 27 application/x-gzip other en public cc_by

PBEsol-D3-BJ_SnS2.tar.gz

data http://eprints.org/relation/isPartOf https://researchdata.bath.ac.uk/id/document/6197 6224 1 15566 document 6224 README.rtf text/rtf 0ab4faefbb37d600c620eb08dece0f32 MD5 129242 2017-03-23 14:51:55 https://researchdata.bath.ac.uk/339/28/README.rtf 339 28 28 text/rtf other en public

README.rtf

documentation archive 4450 disk0/00/00/03/39 2017-03-23 15:38:51 2024-07-18 12:31:38 2017-03-23 15:38:51 data_collection show Skelton Jonathan J.M.Skelton@bath.ac.uk 0000-0002-0395-1202 University of Bath TRUE DataCurator Burton Lee L.A.Burton@bath.ac.uk 0000-0002-0647-5483 Tokyo Institute of Technology DataCurator Oba Fumiyasu 0000-0001-7178-5333 Tokyo Institute of Technology DataCurator Walsh Aron a.walsh@bath.ac.uk 0000-0001-5460-7033 University of Bath Data for "Chemical and Lattice Stability of the Tin Sulfides" ED0100 GE0030 KS0080 KS0140 dept_chem Raw data to accompany the article "Chemical and Lattice Stability of the Tin Sulfides". This dataset includes the optimised structures, force constants, phonon dispersions and density of states curves, and thermodynamic functions for the seven compounds studied in this work. 2017 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K004956/1 Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials Japan Society for the Promotion of Science https://doi.org/10.13039/501100001691 26.04792 Seventh Framework Programme https://doi.org/10.13039/501100004963 277757 Hybrid Semiconductors: Design Principles and Material Applications Partnership for Advanced Computing in Europe https://doi.org/10.13039/501100001943 13DECI0317/IsoSwitch IsoSwitch Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L000202/1 Materials Chemistry High End Computing Consortium https://doi.org/10.1021/acs.jpcc.6b12581 en 1 10.15125/BATH-00339 https://doi.org/10.1021/acs.jpcc.6b12581 pub