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ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
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fzx2008: ½ð±Ò+1, лл»ØÌû£¡ 2014-04-12 19:31:20
fzx2008: ½ð±Ò+1, лл»ØÌû£¡ 2014-04-12 19:31:20
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3Â¥2014-04-11 13:27:25
shangshui123
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2Â¥2014-04-11 12:47:20
shangshui123
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4Â¥2014-04-11 17:20:30
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5Â¥2014-04-11 17:33:54
shangshui123
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6Â¥2014-04-11 20:09:19
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shangshui123(fzx2008´ú·¢): ½ð±Ò+3 2014-04-12 19:32:12
shangshui123(fzx2008´ú·¢): ½ð±Ò+3 2014-04-12 19:32:12
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±ÈÈ磺 Lattice parameters(A) Cell Angles a = 5.878494 alpha = 106.400158 b = 5.878494 beta = 106.400158 c = 5.878494 gamma = 115.805137 xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx x Element Atom Fractional coordinates of atoms x x Number u v w x x----------------------------------------------------------x x O 1 0.511200 1.325000 1.186200 x x O 2 1.138800 0.325000 -0.186200 x x O 3 2.075000 0.388800 1.313800 x x O 4 0.075000 1.761200 -0.313800 x x O 5 0.611200 -0.075000 -0.313800 x x O 6 0.238800 0.925000 1.313800 x x O 7 1.675000 0.861200 2.186200 x x O 8 -1.325000 -0.511200 -1.186200 x x V 1 0.500000 1.500000 1.000000 x x V 2 2.250000 0.750000 1.500000 x x Yb 1 -0.250000 1.250000 0.500000 x x Yb 2 2.000000 1.000000 2.000000 x xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx ¿¿ÕâÐÅϢת¸ñʽ°É£¬ÆäËûҲûɶ°ì·¨ÁË¡£°ÑÕâЩÄÚÈݸÄд³Épdb»òÊÇÆäËûµÄ¸ñʽ¡£ÁíÍ⣬¼ÆËã³É¹¦ºó²úÉúµÄcheckÎļþÓпÉÄÜÆäËû³ÌÐòÄܹ»´ò¿ª£¬µ«ÊÇÔõô´¦ÀíÎÒ²»Á˽⡣ |

7Â¥2014-04-11 21:18:39
shangshui123
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8Â¥2014-04-11 22:34:09
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9Â¥2014-04-12 13:03:56
shangshui123
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|
ÎÒÕâ¾ÍÊÇXYZ,ÀàËÆÕâ¸ö Input Coordinates (Angstroms) ---------------------------------------------------------------------- ATOM X Y Z 1 C 2.693834 -1.253686 0.174196 2 C 2.262810 -2.532202 0.899784 3 O 4.012905 -0.906854 0.608575 4 O 2.888802 -2.865661 1.906916 5 C -0.072338 -4.632982 -1.438005 6 C -0.176595 -5.933733 -0.638884 7 C 1.143986 -6.669425 -0.546591 8 C 2.363025 -6.029560 -0.827521 9 C 2.416480 -4.609433 -1.343502 |
10Â¥2014-04-12 19:04:59














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