Visualize 3D crystal structures from CIF/XYZ files, measure bond angles, project Miller indices, and save snapshots.
Supports international standard molecular structure file formats.
Drag and drop `.cif` or `.xyz` files into CrystalSpace. The system automatically parses unit cells and atomic coordinates.
Access curated crystal structure templates (e.g., TiO2, Perovskites, Graphene, MOFs) for instant rendering.
File định dạng CIF ô cơ sở tinh thể Rutile Titanium Dioxide
Detailed explanation of crystal structure 3D visualization, Miller plane slicing, and snapshot features:
| UI Element / Button Name | UI Type | Purpose & Operation Details | Recommended Value / Format |
|---|---|---|---|
Upload CIF / XYZ File | Button | Upload crystal unit cell .cif or atomic coordinate .xyz files. | Verifies correct Space Group symmetry parameters. |
Representation Mode | Dropdown Selection | Switch rendering style: Ball & Stick, Polyhedral, Wireframe, CPK Spacefill. | Polyhedral mode displays metal coordination polyhedra. |
Supercell Expansion | Input Field | Enter lattice expansion multipliers across 3 dimensions a x b x c. | Example: 2x2x2 duplicates unit cell into 8 consecutive cells. |
Miller Indices (h k l) | Input Field | Enter Miller indices triplet to render cross-section plane cutting unit cell. | Example: (1 1 0) or (0 0 1). |
Atomic Radius Scale | Input Field | Drag slider to adjust atomic sphere display diameter on canvas. | Default baseline 1.0x (100%). |
Bond Thickness | Input Field | Drag slider to adjust chemical bond cylinder diameter between atoms. | Ideal for highlighting lattice framework. |
Auto 360° Rotation | Toggle Settings | Toggle continuous automatic model rotation mode around Z axis. | Great for presentations and video recording. |
Capture Snapshot to Note | Button | Take high-definition 3D viewport photo and auto-insert into active QuickNote. | Saves attached Miller indices and supercell metadata. |
Intuitive 3D viewport navigation.
Rotate and zoom structures with mouse controls. Enter Miller indices $(hkl)$ to visualize crystal lattice plane cross-sections.
CrystalSpaceGuide.view3d.s2.content
Nhập bộ ba chỉ số Miller (h k l) như (1 1 0) hoặc (0 0 1) trên thanh công cụ để CrystalSpace chiếu trực tiếp mặt cắt tinh thể lên mô hình 3D.
Bridge crystal structural data into research documents.
Click **Capture Snapshot**, choose the optimal viewing angle, and save the rendering.
Your captured snapshot immediately becomes available in QuickNotes for embedding directly into reports or Lab Notebooks.