CINEMAS Gallery

CASCADE snaps

Fig. 100 Description of a workflow-icon.

Fig. 101 A view of independent and dependent workflows. Color codes are provided for an easy guide to eyes.

CINEMAS-view snaps

Visualizer

Fig. 102 CINEMAS-view: Zeolite structure assuming pure SiO₂ phase in SZR framework, blue(Si) and red(O).

Fig. 103 CINEMAS-view: Visualization of hybrid perovskite CH₃ NH₃ PbI₃ , brown(C), pink(H), light grey(N), dark grey(Pb) and magenta(I).

Fermi-Surface

Fig. 104 CINEMAS-view: Visualization of Fermi-surface for Al-Bulk(non-magnetic configuration).

Fig. 105 CINEMAS-view: Visualization of Fermi-surface for Cu-Bulk(non-magnetic configuration).

Fig. 106 CINEMAS-view: Visualization of Fermi-surface for Ti-Bulk(non-magnetic configuration).

Structure-Manager

Fig. 107 Structure Manager: high-index [611] surface of SrTiO₃ , green(Sr), cyan(Ti) and red(O).

Fig. 108 Structure Manager: Application of mirror symmetry along XY-plane of [111] surface cell of SrTiO₃.

Fig. 109 Structure Manager: Input Miller indices for a desired surface.

Fig. 110 Structure Manager: Drag the plane for desired termination.

Fig. 111 Structure Manager: Drag arrows to have desired in-plane vectors.

Fig. 112 Structure Manager: Surface cell(periodic and normal vectors).

Fig. 113 Structure Manager: Periodic-bulk like surface cell(with least number of atoms).

Fig. 114 Structure Manager: Non-periodic slab-like surface cell.

Fig. 115 Structure Manager: Non-periodic slab-like symmetric surface cell with layers centered.

CINEMAS-plot snaps

Tables

Fig. 116 CINEMAS-plot table: Available options for tables.

Fig. 117 CINEMAS-plot table: color highlighting and available statistical operations.

Fig. 118 CINEMAS-plot tables: Nested CSV loaded as a table, See column #5.

Graphs:

Fig. 119 A sample graph from data driven computations.

Fig. 120 CINEMAS-plot: appearance of table/graph window.

Fig. 121 CINEMAS-plot: Graph window in full-screen mode.

CINEMAS-draw snapshots

Fig. 122 A sample drawing created and exported from CINEMAS-draw. Structure shown is directly exported from CINEMAS-view.

CINEMAS-Py Editor

Fig. 123 An example of Python script executed from CINEMAS-Python editor using Matminer package, to featurize a list of compositions.

Fig. 124 An example of running Phonopy scripts using its Python API from CINEMAS-Python editor. This script shown here is taken from Phonopy-examples.

Fig. 125 An example of Python script execution from CINEMAS editor, querying a dataset available within Matminer.