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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-553901
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:39 a.m.
Input Source: Materials Project

Structure:

Number of sites: 56
Number of elements: 5
Element list: ['H', 'Ru', 'N', 'Cl', 'O']
Chemical System: Cl-H-N-O-Ru
Density: 2.2943021225208393
Atomic Density: 0.07124688574057361
Unit Cell Volume: 785.9992674474074
Molar Volume: 8.452496831830667
Full Formula: H24 Ru4 N12 Cl12 O4
Reduced Formula: H6RuN3Cl3O
Formula Anonymous: ABC3D3E6
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -304.67599085
Final energy per atom: -5.44064269375
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.