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. 2013 Apr 2;3:1587. doi: 10.1038/srep01587

Table 4. Relaxed surface and attachment energy of vaterite.

  Surface energy (J.m−2) Attachment energy (eV)
Surface Raiteri's forcefield Xiao's forcefield Other studies a Raiteri's forcefield Xiao's forcefield Other studies a
(010) Ca 1.51 1.34 1.35 −92.65 4.04 −35.58
(010) CO3 0.75 0.75 0.62 −37.48 −37.48 −8.29
(100) Ca 1.55 1.34 1.31 −115.51 4.04 −17.50
(100) CO3 0.75 1.54 1.39 −37.48 −91.41 −14.23
(110) Ca 1.54 0.87 1.18 −146.66 −107.35 −25.94
(110) CO3 0.87 0.98 1.04 −49.33 −55.29 −15.47
(011) Ca 1.29 1.16 1.22 −41.10 −32.70 −59.90
(011) CO3 1.12 1.12 0.93 −55.23 −55.23 −19.37
(101) Ca 1.35 0.86 1.47 −34.66 −20.14 −19.33
(101) CO3 1.22 0.79 1.07 −43.46 −16.62 −18.29
(111) Ca 1.48 0.78 0.82 −190.73 −109.70 −19.47
(111) CO3 2.39 0.86 0.85 −125.23 −100.57 −25.47

a 14