Data for Pressure-temperature phase diagram of lithium, predicted by embedded atom model potentials

The calculations were performed by using the nested sampling technique in the pressure range $0.01-20$ GPa, in order to determine the liquid-vapour critical point, the melting curve and the different stable solid phases of the compared models.

The low pressure stable structure below melting is found to be the body-centred-cubic (bcc) structure in all cases, but the higher pressure phases and the ground state structures show a great variation, being face-centred cubic (fcc), hexagonal close-packed (hcp), a range of different close packed stacking variants, and highly symmetric open structures are observed as well. A notable behaviour of the EAM model of Nichol and Ackland (PRB 2016) is observed, that the model displays a maximum temperature in the melting line, similarly to experimental results.<br><br>Data record consists of a zip archive organised according to experiment.