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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-1036049
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 4
Element list: ['Y', 'Mg', 'Ni', 'O']
Chemical System: Mg-Ni-O-Y
Density: 3.792192744400392
Atomic Density: 0.09824269835298907
Unit Cell Volume: 325.72395237988076
Molar Volume: 6.129860906672434
Full Formula: Y1 Mg14 Ni1 O16
Reduced Formula: YMg14NiO16
Formula Anonymous: ABC14D16
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -206.76023944
Final energy per atom: -6.4612574825
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.