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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-775788
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 40
Number of elements: 3
Element list: ['Hf', 'N', 'O']
Chemical System: Hf-N-O
Density: 9.451601010823055
Atomic Density: 0.07097243605646368
Unit Cell Volume: 563.5990846950374
Molar Volume: 8.485182550601692
Full Formula: Hf16 N16 O8
Reduced Formula: Hf2N2O
Formula Anonymous: AB2C2
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -430.17485704
Final energy per atom: -10.754371426
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.