Name: CoCrFeNiPd MRL2020
License: CC-BY-4.0

Dataset

CoCrFeNiPd_MRL2020

Name	CoCrFeNiPd_MRL2020
Extended ID	CoCrFeNiPd_MRL2020_YinCurtin__DS_4w9gf8dxzskh_0
Description	The dataset for "Origin of high strength in the CoCrFeNiPd high-entropy alloy", containing DFT-calculated values of the high-entropy alloy CoCrFeNiPd, created to explore the reasons behind experimental findings of the increased strength CoCrFeNiPd in comparison to CoCrFeNi.
Authors	Binglun Yin W. A. Curtin
DOI	10.60732/74f33a37 https://commons.datacite.org/doi.org/10.60732/74f33a37 https://doi.datacite.org/dois/10.60732%2F74f33a37 https://doi.org/10.60732/74f33a37 Cite as: Yin, B., and Curtin, W. A. "CoCrFeNiPd MRL2020." ColabFit, 2024. https://doi.org/10.60732/74f33a37. For other citation formats, see the DataCite Fabrica page for this dataset.
Elements	Co (24.51%) Cr (17.47%) Fe (10.73%) Ni (37.14%) Pd (10.15%)
Number of Data Objects	116
Number of Configurations	116
Number of Atoms	8,552
Links	https://doi.org/10.24435/materialscloud:2020.0045/v1 https://doi.org/10.24435/materialscloud:2020.0045/v1
Configuration Sets by Name	CoCrFeNiPd_MRL2020_Ni_1e-6 — Configurations of Ni calculated with energy cutoff setting of 1e-6 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni_1e-7 — Configurations of Ni calculated with energy cutoff setting of 1e-7 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni_4e-8 — Configurations of Ni calculated with energy cutoff setting of 4e-8 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_CrFeCoNi — Configurations of CrFeCoNi from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_CrFeCoNiPd — Configurations of CrFeCoNiPd from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni2Pd — Configurations of Ni2Pd from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_NiCoCr — Configurations of NiCoCr from CoCrFeNiPd_MRL2020 dataset
Configuration Sets by ID	CS_4vg8jrxjgwcv_0 CS_x5i9y22kll2f_0 CS_op6lgu3nr82m_0 CS_17ce4lf16rqk_0 CS_8dapeluqilb7_0 CS_xlazccy48lo7_0 CS_kyguvd4llnat_0
Data Objects	DO_2096375990124562120 DO_1631036925205806808 DO_943965791292352513 DO_1130122007451063072 DO_2011639273361737461 DO_1962445501690125593 DO_2283929901089451051 DO_65380694234921485 DO_609183211413398904 DO_566783836909222195 DO_1783291142042455167 DO_628819395424109261 DO_231557366865417904 DO_1043438310423233321 DO_1374296919857294076 DO_804030162900023354 DO_1042865274963502240 DO_1668811754050910091 DO_1717999032197969644 DO_1783353618226429988 DO_800577881553656978 DO_2273931504794390359 DO_1701757534480903330 DO_1608203758607312294 DO_1824976428252828173 DO_582588844789009392 DO_155870066346542304 DO_431053913630292611 DO_40478394210842887 DO_1427943061817430264 DO_1074976196208199249 DO_1661944634005189197 DO_1637298426987361035 DO_152783076218391745 DO_385937208298867971 DO_1139059649753384012 DO_1617703382400896468 DO_596653496539001550 DO_2079842650886101858 DO_2257646078243920972 DO_864783919873606962 DO_2072074831599443180 DO_2296699985490174412 DO_1640858920670818715 DO_727168338521955880 DO_470950575593420222 DO_2024303471618435266 DO_2139379466431183237 DO_2227357288157989393 DO_838022859967747306 DO_1952441184304810456 DO_164052679134797913 DO_1709572912070482084 DO_1510737876519336790 DO_284643290434101462 DO_1583361059837733269 DO_368192603097880865 DO_1907217079737817895 DO_1753545761061750760 DO_2031996676664206378 DO_647786802846946695 DO_1711689530260649171 DO_1337200450610050094 DO_209249101910121017 DO_2004602282130835434 DO_327886901134052510 DO_1141718787148611583 DO_443300845535308550 DO_1058781949047380776 DO_1557627717238853021 DO_1938898784461023409 DO_345261659878416092 DO_194413720298121329 DO_185999533789703958 DO_1884197532925342278 DO_2123648403999217514 DO_1053215814763213810 DO_790039521704171024 DO_1227405417642598829 DO_490417693599687926 DO_2168715633497826241 DO_1274318022605148406 DO_1066791626567977963 DO_2241952271214175562 DO_934389062935285848 DO_532281499524206934 DO_543007549067120176 DO_1391107302973132369 DO_2266363789776342381 DO_1277848125413097982 DO_1113495349236892586 DO_2256285158916216495 DO_1311123645240516306 DO_1973053159679599544 DO_180780960624152020 DO_1164127001630778455 DO_1209754351225926133 DO_1418391594735035794 DO_2285974395434734234 DO_711987661334035700 DO_600458864001115688 DO_605743348097741202 DO_227909319298931654 DO_342180076614501544 DO_784746755473931236 DO_685205021078951865 DO_814276844574893466 DO_28680618822968756 DO_1731971571729450987 DO_201293075455989900 DO_490235029665752914 DO_2202643488450432603 DO_1109241062435745809 DO_1325719426523613453 DO_1984944567732413952 DO_421000668627291219
ColabFit ID	DS_4w9gf8dxzskh_0
Files	colabfitspec.json

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