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OQMD

  • OK, download by yang, need mysql service .

AFLOW

DISCLAIMER

The data included within the aflow.org repository is free for scientific, academic and non-commercial purposes. Any other use is prohibited. AFLOW and AFLOWLIB.ORG come with ABSOLUTELY NO WARRANTY, to the extent permitted by applicable law.

整体的数据集索引

https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/

获取该网站数据集的方法:

  1. 从一级目录 https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/ 获取所有材料的元素,保存在aflowlib-lib2-1706.csv.
  2. 从第一步获取1706个二级目录的链接,记录每个元素的所有具体材料网页的链接,比如3-AgAl-1057.csv, 表示元素比如AgAl有1057个材料页面。
  3. 下载材料页面,比如3-AgAl-1057.csv,有1057个html网页。其中一个页面示例为:AgAl-1.html

从这里我们可以算出,一个页面26k * 1000000 = 26G 文件大小

相关文件在文件夹aflowlib中,完整数据集在dataset中(local)

备注

url = https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/./AgAl/

末尾必须要有/

拓展

  1. mpi 并行等等,后续有需要再考虑。
  2. 断点续传,后续考虑。

特殊样例

第32行:

https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/./AgO/

alt text

该元素就一个材料页面: https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/AgO/A2B_cP6_224_b_a.AB/

第83行

https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/./AlN/ alt text

第86行

https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/./AlO/ alt text

解决方法:

  1. 手动下载,存放在 aflowlib/except-sample/
  2. 将这个条目从aflowlib-lib2-1706.csv中删除
  3. download.py,从中断的url继续下载继续下载。
    for material_link in urls_file.readlines()[31:]:            # 因为AgO中断了,所以手动从这里继续下载    
       pass   
    

ToDo

  1. 定时查看程序是否中断了。

NOMAD

学习链接

是AFLOW的子集

使用方法见nomad.ipynb

数据未下载

materialproject

ToDo

备注

  1. 下载次数过多, 会暂时停止访问。 alt text

经过查找发现,从第510行开始就出现次数超过限制的页面,所以下次从这个地方下载,并且修改此类bug。 https://aflowlib.duke.edu/AFLOWDATA/LIB2_WEB/./CSr_sv/

修改bug, ToDo:如果出现该页面,sleep 30 min, 继续下载。

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