Research data supporting "The relation between chemical bonding and ultra-fast crystal growth"

This document explains the key data contained in this repository for the following manuscript: The relation between chemical bonding and ultrafast crystal growth by T. H. Lee and S. R. Elliott General: We include here the atomic coordinates of generated amorphous GST model. In addition, we include the atomic coordinates of models captured at certain frames during growth simulations (i.e. the initial and final configurations during sequential cooperative atomic movements, as shown in Fig. 5a). The data for the distribution of atomic distance and ELFbond for axial and equatorial bonds of Ge(4,1) and Sb(4,1) units are also included here. Data files: 1. Amorphous_model.cif This file contains the atomic coordinates of amorphous GST model generated (Fig. 1a). The file can be viewed by, for instance, VESTA (http://jp-minerals.org/vesta/en/). 2. Atom_ligand_distance_Ge41_axial_equatorial.txt The first, second, and third columns correspond to the bond distance in Å, the number of axial bonds, and the number of equatorial bonds, respectively, for Ge(4,1) units observed in amorphous models (Fig. 2d). 3. Atom_ligand_distance_Sb41_axial_equatorial.txt The first, second, and third columns correspond to the bond distance in Å, the number of axial bonds, and the number of equatorial bonds, respectively, for Sb(4,1) units observed in amorphous models (Fig. 2d). 4. ELF_Ge41_axial_equatorial.txt The first, second, and third columns correspond to the ELEbond, equatorial-bond populations, and the population of axial bonds, respectively, for Ge(4,1) units observed in amorphous models (Fig. 3a). 5. ELF_Sb41_axial_equatorial.txt The first, second, and third columns correspond to the ELEbond, the population of equatorial bonds, and the population of axial bonds, respectively, for Sb(4,1) units observed in amorphous models (Fig. 3a). 6. Atomic_configuration_growth.cif This file contains the atomic coordinates of GST model during crystal growth. The file can be viewed by, for instance, VESTA (http://jp-minerals.org/vesta/en/).