| 查看: 4301 | 回复: 40 | ||
| 【奖励】 本帖被评价32次，作者yipinchun增加金币 30 个 | ||
| 当前主题已经存档。 | ||
[资源]
【分享】晶体建模完美晶体数据库
|
||
|
This site is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation. http://rruff.geo.arizona.edu/AMS/amcsd.php 目前为止，我没有发现有比这个数据库更好的。另外这个数据库是免费的。 没有做搜索，但是自信没有重复。 -------------------------------- Silver Standard elemental phase Lattice: Face-Centered Cubic (fcc) Pearson symbol: cF4 Strukturbericht: A1 Spacegroup: Fm-3m (Number 225; Schönflies: oh5) Reference: CRC83 Lattice parameters: a: 4.0857 Å Number of atoms in the primitive cell: 1 Atoms: Ag -------------------------------- Some people ask how to use the database. Actually, it just provides necessary information about crystal structures. For example as pasted above (copy from data of VNL), to create a silver crystal structure, we need to know the spacegroup, lattice constants, and the positions of atoms. Normally, we can find the former two parameters easily from XRD database. However, it is hard to find the positions of atoms in an unit. The book of Pearson provides atom positions of most crystals. Here the database I recommend also includes large amount of crystals and it is free for use. The database of VNL just contains some crystals and is far from completed. For example, I can't not find the structures of ZnO crystals. So according to the database I suggest you can find information of ZnO, by which you just change the corresponding place of other crystal file to create the crystal what you want. My input tool does not work. So write down with E. Sorry about it. [ Last edited by yipinchun on 2008-12-28 at 16:20 ] |
回复此楼» 猜你喜欢
080500求调剂
已经有5人回复
-
269电子信息求调剂，可转专业
已经有5人回复
-
285求调剂
已经有15人回复
-
265求调剂
已经有8人回复
-
274求调剂求调剂
已经有5人回复
-
284求调剂
已经有4人回复
-
土木水利专硕276分求调剂
已经有4人回复
-
材料考研求调剂总分280
已经有9人回复
-
285求调剂
已经有6人回复
-
材料调剂
已经有9人回复
3楼2008-12-26 23:17:19
5楼2008-12-27 00:08:03
6楼2008-12-27 00:56:12
7楼2008-12-27 08:18:05
8楼2008-12-27 08:42:17
9楼2008-12-27 09:11:34
10楼2008-12-27 09:47:02
11楼2008-12-27 11:20:22
13楼2008-12-27 14:44:54
15楼2008-12-28 00:03:33
16楼2008-12-28 08:47:03
17楼2008-12-28 09:54:33
18楼2008-12-28 10:10:55
21楼2008-12-28 14:33:21
22楼2008-12-28 17:41:07
23楼2008-12-28 17:42:26
24楼2008-12-28 18:10:08
25楼2008-12-29 09:52:27
26楼2008-12-29 20:52:07
27楼2009-06-21 23:18:25
28楼2009-06-23 15:29:52
29楼2009-06-23 21:40:55
30楼2009-06-26 11:15:40
31楼2009-06-26 11:38:17
32楼2009-06-26 16:10:45
33楼2009-07-02 09:08:11
34楼2009-07-02 15:08:34
37楼2009-09-21 13:13:26
38楼2009-10-13 10:41:40
40楼2009-10-21 10:39:54
41楼2009-12-12 16:59:21
简单回复
wuli82楼
2008-12-26 21:19
回复
zdhlover4楼
2008-12-26 23:20
回复
凌夏12楼
2008-12-27 12:23
回复
小中子14楼
2008-12-27 18:50
回复
好学的孩子19楼
2008-12-28 10:30
回复
vivi080620楼
2008-12-28 12:22
回复
2009-07-04 07:47
回复
awmc200836楼
2009-07-04 22:23
回复
wwxq39楼
2009-10-21 09:55
回复
