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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-29094
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 66
Number of elements: 3
Element list: ['Nd', 'P', 'O']
Chemical System: Nd-O-P
Density: 5.5664450847891995
Atomic Density: 0.06405140123260959
Unit Cell Volume: 1030.422422146767
Molar Volume: 9.402043740042384
Full Formula: Nd18 P6 O42
Reduced Formula: Nd3PO7
Formula Anonymous: AB3C7
Spacegroup Number: 12
Spacegroup Symbol: C12/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -565.7070501400001
Final energy per atom: -8.571318941515154
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.