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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Nd2MnP2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Nd2MnP2O ribbon oriented in the (0, 0, 1) direction. Nd3+ is bonded in a distorted linear geometry to one P3- and one O2- atom. The Nd–P bond length is 2.96 Å. The Nd–O bond length is 2.11 Å. Mn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Mn–P bond lengths are 2.36 Å. P3- is bonded in a linear geometry to one Nd3+ and one Mn2+ atom. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms.