Crystal Structure: uses and methods
View unit cells and supercells online, measure atomic distances, bond angles and dihedral angles.
Applicable scope and calculation boundary
supports CIF and direct coordinate/Cartesian coordinate POSCAR; CIF expansion space group symmetry operation. Some occupancies are displayed as entered and unordered microstructure is not inferred.
model and reference method
Gemmi crystal structure analysis and space group manipulation.
model version: 1.0.0. The results are used for scientific research, exploration and teaching, please interpret according to the model conditions.
input parameters
- CIF/POSCAR file
- Upload or paste crystal files.
- supercell repeat number
- Value range: 1 – 3
- measured atomic number
- 2/3/4 numbers starting from 1; the distance is mirrored with the minimum, and the angle is connected with the shortest period.
How to use
- Load the example or enter data that matches the field description.
- Confirm units and models, run calculations and check diagnostics.
- Export charts, tables or results packages and record model versions.
tools in the same field
are free and open; free sponsorship does not affect tool permissions. All functions of Read scientific methods and data explanations 。