Table 1 Number of neighbors of a given species in the local environments of the Ni-sites. All results are normalized per neighboring element and cluster.
Element | Cluster occurrences | 1 | 2 | 3 | 4 |
|---|---|---|---|---|---|
Li | 0 | 0.056 | - | - | - |
1 | 0.111 | - | - | - | |
2 | 0.139 | - | - | - | |
3 | 0.333 | - | - | - | |
4 | 0.250 | - | 0.010 | - | |
5 | 0.111 | - | 0.206 | - | |
6 | - | 1.000 | 0.784 | 1.000 | |
Mn | 0 | 1.000 | 0.824 | 1.000 | 0.425 |
1 | - | 0.176 | - | 0.550 | |
2 | - | - | - | 0.025 | |
Ni | 0 | 1.000 | 0.294 | 0.928 | 0.225 |
1 | - | 0.392 | 0.072 | 0.325 | |
2 | - | 0.255 | - | 0.425 | |
3 | - | 0.059 | - | 0.025 | |
O | 6 | 1.000 | 0.431 | 0.784 | 0.375 |
7 | - | 0.314 | 0.206 | 0.425 | |
8 | - | 0.255 | 0.010 | 0.175 | |
9 | - | - | - | 0.025 |
