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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-1036307
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 4
Element list: ['Ca', 'Hf', 'Mg', 'O']
Chemical System: Ca-Hf-Mg-O
Density: 4.0627556977502985
Atomic Density: 0.09608496392634094
Unit Cell Volume: 333.0385805684572
Molar Volume: 6.267516283418281
Full Formula: Ca1 Hf1 Mg14 O16
Reduced Formula: CaHfMg14O16
Formula Anonymous: ABC14D16
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -207.11480317
Final energy per atom: -6.4723375990625
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.