Battery Explorer Manual

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Introduction

The Battery Explorer is a customized tool to search the Materials Project database for Li-ion battery materials satisfying various critical criteria such as voltage, capacity, stability and energy density.

Currently, this app contains approximately 50 lithium intercalation compounds. However, new compounds are being continuously added to the database, including many new structural predictions.

Using the Li-ion Battery Explorer

The Li-ion battery explorer is highly customized to make it easy for battery scientists to find the materials that they are interested in quickly. Useful defaults have been set for the voltage range, minimum gravimetric and minimum volumetric capacity. In fact, simply clicking Search in the Battery Explorer without changing any of the fields already brings up many interesting battery compounds. However, if you have a particular chemistry in mind, judicious use of the form fields will help you find the material you want efficiently. Here's a summary of the various fields and how they can be used:

  1. Elements - Use this field (alternatively, you can click the mini-periodic table to specify the elements) to limit the search for compounds containing only those elements present in the battery materials. F
  2. No. of Elements (inc Li) - Use this field to limit the search to battery compounds containing a total number of elements.
  3. Formula - The formula field should be used as an alternative to specifying the elements and number of elements. In fact, typing in the formula field will automatically fill up the element and no. of elements fields with appropriate parameters. The formula field can be used to restrict the search to compounds satisfying a particular chemical formula.
  4. Voltage Range - Use this slider to set the voltage range you want to search in.
  5. Min. Grav. Capacity - Use this slider to set the minimum gravimetric capacity for the search.
  6. Min. Vol. Capacity - Use this slider to set the minimum volumetric capacity for the search.

Advanced options

  1. Excluded elements - Use this field to exclude certain elements from the search. For example, if you want to exclude certain expensive or toxic elements.
  2. Materials Id - Use this field to search for a battery material containing a material with a particular Materials Id within the delithiation range.
  3. Battery Id - Use this field to search for a battery material with the corresponding battery id.
  4. Max. Volt. Step - Use this slider to limit the search to battery materials having a voltage step less than the specified number.
  5. Max. Vol. Change - Use this slider to limit the search to battery materials having a volume change upon lithiation/delithiation smaller than the specified percentage.
  6. Max. energy
    above hull - Use this slider to limit how unstable the lithiated or delithiated battery material can be.