ms_gui_new_structure_current
Creates a new structure document: imports a CIF if available, asks for access to credentialed sources, or builds manually from atoms/cell data when no CIF exists.
Instructions
Unified entry point for creating a new GUI structure. Decision order: if an open and reliable CIF can be found, download it and import it as the initial XSD/current GUI document; if a likely source exists but requires an account/API such as ICSD/CSD/Materials Project/OQMD, return candidates and ask the user for access instead of bypassing authentication; if no usable CIF source is available, fall back to controlled MCP GUI manual creation when manual atoms/cell data are provided. Build the primitive/base document first; do not name the initial document after a planned supercell size. Prefer this tool over direct create/import tools for first-time structure creation.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| a | No | ||
| b | No | ||
| c | No | ||
| beta | No | ||
| kind | No | auto | |
| alpha | No | ||
| atoms | No | Manual atoms. For crystal mode, coordinates are fractional or Cartesian according to coordinateType. | |
| bonds | No | Manual molecule bonds by atom label. | |
| gamma | No | ||
| query | Yes | Material, molecule, crystal, or structure name. | |
| formula | No | Optional formula used to raise CIF search confidence. | |
| fileName | No | Optional local CIF base name when a CIF is downloaded. | |
| forceNew | No | Create a separate GUI document only when the user explicitly asks for one. | |
| exportFile | No | ||
| manualMode | No | Manual fallback mode if no reliable open CIF is imported. | none |
| maxResults | No | ||
| spaceGroup | No | P1 | |
| ballAndStick | No | ||
| documentName | No | Target Materials Studio document name. Defaults to a sanitized query plus .xsd. | |
| sourcePolicy | No | Overrides MS_MCP_STRUCTURE_SOURCE_POLICY for this call. | |
| minConfidence | No | ||
| calculateBonds | No | ||
| coordinateType | No | fractional | |
| spaceGroupQualifier | No | ||
| useSpecialPositions | No | ||
| specialPositionTolerance | No |