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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-707052
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: 88
Number of elements: 5
Element list: ['Cu', 'H', 'Se', 'N', 'O']
Chemical System: Cu-H-N-O-Se
Density: 1.9210420605828717
Atomic Density: 0.09267643338073314
Unit Cell Volume: 949.5402098447031
Molar Volume: 6.498028182914478
Full Formula: Cu4 H48 Se4 N16 O16
Reduced Formula: CuH12Se(NO)4
Formula Anonymous: ABC4D4E12
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -448.48211258
Final energy per atom: -5.096387642954546
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.