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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-728713
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: 80
Number of elements: 6
Element list: ['Na', 'Ni', 'H', 'C', 'N', 'O']
Chemical System: C-H-N-Na-Ni-O
Density: 1.7930067552212947
Atomic Density: 0.08217820838557077
Unit Cell Volume: 973.4940876862287
Molar Volume: 7.328148031342814
Full Formula: Na8 Ni4 H24 C16 N16 O12
Reduced Formula: Na2NiH6C4N4O3
Formula Anonymous: AB2C3D4E4F6
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -503.14347401
Final energy per atom: -6.289293425125
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.