OQMD-mix, MP-mix, ICSD-mix datasets
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资源简介:
Datasets with mixed samples, some are charge neutral, some are not. Some are electroneativity balanced. Some are not. <br>
本数据集包含混合样本,部分样本为电荷中性(charge neutral),其余样本不满足电荷中性条件;另有部分样本的电负性(electronegativity)处于平衡状态,剩余样本未达到电负性平衡要求。
提供机构:
Hu, George创建时间:
2022-04-01



